data_Sr2YTi2GaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.31
_cell_length_b   12.31
_cell_length_c   12.31
_cell_angle_alpha   37.4
_cell_angle_beta   153.53
_cell_angle_gamma   154.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YTi2GaO7
_chemical_formula_sum   'Sr4 Y2 Ti4 Ga2 O14'
_cell_volume   363.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.05  0.13  0.8  1.0
  Sr  Sr1  1  0.61  0.68  0.04  1.0
  Sr  Sr2  1  0.05  0.68  0.04  1.0
  Sr  Sr3  1  0.61  0.13  0.8  1.0
  Y  Y4  1  0.0  0.0  0.76  1.0
  Y  Y5  1  0.66  0.0  0.76  1.0
  Ti  Ti6  1  0.41  0.82  0.76  1.0
  Ti  Ti7  1  0.25  0.82  0.76  1.0
  Ti  Ti8  1  0.75  0.82  0.76  1.0
  Ti  Ti9  1  0.59  0.82  0.76  1.0
  Ga  Ga10  1  0.49  0.39  0.21  1.0
  Ga  Ga11  1  0.17  0.42  0.97  1.0
  O  O12  1  0.1  0.42  0.63  1.0
  O  O13  1  0.83  0.52  0.36  1.0
  O  O14  1  0.1  0.4  0.39  1.0
  O  O15  1  0.13  0.27  0.87  1.0
  O  O16  1  0.58  0.21  0.36  1.0
  O  O17  1  0.24  0.42  0.36  1.0
  O  O18  1  0.83  0.3  0.12  1.0
  O  O19  1  0.21  0.6  0.39  1.0
  O  O20  1  0.56  0.4  0.39  1.0
  O  O21  1  0.13  0.55  0.63  1.0
  O  O22  1  0.53  0.55  0.63  1.0
  O  O23  1  0.53  0.27  0.87  1.0
  O  O24  1  0.42  0.42  0.36  1.0
  O  O25  1  0.42  0.4  0.13  1.0

data_Sr2YTi2GaO7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.52
_cell_length_b   5.64
_cell_length_c   12.31
_cell_angle_alpha   103.24
_cell_angle_beta   102.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YTi2GaO7
_chemical_formula_sum   'Sr4 Y2 Ti4 Ga2 O14'
_cell_volume   363.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.32  0.96  0.33  1.0
  Sr  Sr1  1  0.32  0.96  0.89  1.0
  Sr  Sr2  1  0.87  0.2  0.12  1.0
  Sr  Sr3  1  0.87  0.2  0.67  1.0
  Y  Y4  1  0.0  0.24  0.9  1.0
  Y  Y5  1  0.0  0.24  0.24  1.0
  Ti  Ti6  1  0.18  0.24  0.83  1.0
  Ti  Ti7  1  0.18  0.24  0.67  1.0
  Ti  Ti8  1  0.18  0.24  0.18  1.0
  Ti  Ti9  1  0.18  0.24  0.02  1.0
  Ga  Ga10  1  0.58  0.03  0.78  1.0
  Ga  Ga11  1  0.61  0.79  0.89  1.0
  O  O12  1  0.4  0.61  0.22  1.0
  O  O13  1  0.45  0.37  0.95  1.0
  O  O14  1  0.45  0.37  0.35  1.0
  O  O15  1  0.48  0.64  0.95  1.0
  O  O16  1  0.58  0.64  0.46  1.0
  O  O17  1  0.58  0.64  0.63  1.0
  O  O18  1  0.58  0.37  0.06  1.0
  O  O19  1  0.6  0.61  0.32  1.0
  O  O20  1  0.6  0.61  0.77  1.0
  O  O21  1  0.6  0.87  0.9  1.0
  O  O22  1  0.7  0.88  0.41  1.0
  O  O23  1  0.73  0.13  0.99  1.0
  O  O24  1  0.73  0.13  0.4  1.0
  O  O25  1  0.79  0.64  0.0  1.0

Sr Sr Sr Sr Y Y Ti Ti Ti Ti Ga Ga O O O O O O O O O O O O O O
Sr Sr Sr Sr Y Y Ti Ti Ti Ti Ga Ga O O O O O O O O O O O O O O 0 15 o o o 0 4 o o o 0 8 - - o 1 6 o o - 1 25 o o o 1 10 o o o 1 11 o o - 2 23 - o - 2 22 - o - 2 4 o + - 2 8 - o - 2 18 - o o 2 19 o o o 2 14 o o o 3 7 o - o 4 8 - - o 5 6 o - o 5 9 o - o 6 7 o o o 10 25 o o o 10 11 o o - 10 13 o o o 10 16 o o o 10 20 o o o 11 25 o o + 11 20 o o + 12 21 o o o 12 15 o o o 13 25 o o o 13 16 o o o 13 21 + o o 14 18 - o o 14 19 o o o 14 22 o o o 14 17 o o o 15 25 o o + 17 18 - o o 17 22 o o o 18 23 o o - 20 25 o o o 20 24 o o o 22 23 o o o 
Sr2YTi2GaO7 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one Y(1), one Ti(3), one O(1), one O(4), and one O(5) atom. The Sr(1)-Y(1) bond length is 1.53 Å. The Sr(1)-Ti(3) bond length is 1.74 Å. The Sr(1)-O(1) bond length is 1.96 Å. The Sr(1)-O(4) bond length is 1.50 Å. The Sr(1)-O(5) bond length is 3.15 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one O(10) and one O(14) atom. The Sr(2)-O(10) bond length is 2.32 Å. The Sr(2)-O(14) bond length is 1.65 Å. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one Y(1), one O(11), one O(12), one O(3), one O(6), one O(7), and one O(8) atom. The Sr(3)-Y(1) bond length is 2.57 Å. The Sr(3)-O(11) bond length is 2.36 Å. The Sr(3)-O(12) bond length is 2.38 Å. The Sr(3)-O(3) bond length is 2.54 Å. The Sr(3)-O(6) bond length is 2.86 Å. The Sr(3)-O(7) bond length is 2.22 Å. The Sr(3)-O(8) bond length is 2.24 Å. In the fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one Ti(1), one Ti(2), one Ga(2), one O(13), one O(7), and one O(9) atom. The Sr(4)-Ti(1) bond length is 2.24 Å. The Sr(4)-Ti(2) bond length is 1.76 Å. The Sr(4)-Ga(2) bond length is 2.55 Å. The Sr(4)-O(13) bond length is 3.00 Å. The Sr(4)-O(7) bond length is 3.31 Å. The Sr(4)-O(9) bond length is 2.89 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), one Ti(3), one O(11), one O(12), and one O(3) atom. The Y(1)-Ti(3) bond length is 1.46 Å. The Y(1)-O(11) bond length is 2.56 Å. The Y(1)-O(12) bond length is 2.80 Å. The Y(1)-O(3) bond length is 3.15 Å. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(4), one O(4), and one O(5) atom. The Y(2)-Ti(1) bond length is 1.48 Å. The Y(2)-Ti(4) bond length is 1.52 Å. The Y(2)-O(4) bond length is 2.21 Å. The Y(2)-O(5) bond length is 2.69 Å. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to one Sr(4), one Y(2), and one O(10) atom. The Ti(1)-O(10) bond length is 1.87 Å. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one Sr(4) atom. In the third Ti site, Ti(3) is bonded in a 4-coordinate geometry to one Sr(1), one Y(1), one O(11), and one O(8) atom. The Ti(3)-O(11) bond length is 2.29 Å. The Ti(3)-O(8) bond length is 2.28 Å. In the fourth Ti site, Ti(4) is bonded in a 2-coordinate geometry to one Y(2), one O(1), and one O(10) atom. The Ti(4)-O(1) bond length is 2.21 Å. The Ti(4)-O(10) bond length is 2.03 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to one O(14), one O(2), one O(5), and one O(9) atom. The Ga(1)-O(14) bond length is 0.46 Å. The Ga(1)-O(2) bond length is 1.55 Å. The Ga(1)-O(5) bond length is 1.96 Å. The Ga(1)-O(9) bond length is 1.55 Å. In the second Ga site, Ga(2) is bonded in a distorted single-bond geometry to one Sr(4), one O(13), and one O(14) atom. The Ga(2)-O(13) bond length is 2.49 Å. The Ga(2)-O(14) bond length is 1.86 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Ti(4), one O(10), and one O(4) atom. The O(1)-O(10) bond length is 1.33 Å. The O(1)-O(4) bond length is 1.71 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ga(1), one O(10), and one O(5) atom. The O(2)-O(10) bond length is 1.52 Å. The O(2)-O(5) bond length is 1.67 Å. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(3), one Y(1), one O(11), one O(6), one O(7), and one O(8) atom. The O(3)-O(11) bond length is 1.77 Å. The O(3)-O(6) bond length is 1.72 Å. The O(3)-O(7) bond length is 1.65 Å. The O(3)-O(8) bond length is 1.45 Å. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sr(1), one Y(2), and one O(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Y(2), one Ga(1), and one O(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(3), one O(11), one O(3), and one O(7) atom. The O(6)-O(11) bond length is 1.76 Å. The O(6)-O(7) bond length is 1.79 Å. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(3), one Sr(4), one O(12), one O(3), and one O(6) atom. The O(7)-O(12) bond length is 1.50 Å. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(3), one Ti(3), and one O(3) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Sr(4), one Ga(1), and one O(13) atom. The O(9)-O(13) bond length is 1.68 Å. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(2), one Ti(1), one Ti(4), one O(1), and one O(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(3), one Y(1), one Ti(3), one O(3), and one O(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Sr(3), one Y(1), and one O(7) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Sr(4), one Ga(2), and one O(9) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Sr(2), one Ga(1), and one Ga(2) atom.