data_SrSmCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   133.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSmCoO4
_chemical_formula_sum   'Sr2 Sm2 Co2 O8'
_cell_volume   180.67
_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  0.69  0.07  0.35  1.0
  Sr  Sr1  1  0.69  0.93  0.05  1.0
  Sm  Sm2  1  0.69  0.42  0.05  1.0
  Sm  Sm3  1  0.69  0.58  0.35  1.0
  Co  Co4  1  0.69  0.12  0.35  1.0
  Co  Co5  1  0.69  0.88  0.05  1.0
  O  O6  1  0.34  0.89  0.7  1.0
  O  O7  1  0.34  0.11  0.0  1.0
  O  O8  1  0.34  0.89  0.0  1.0
  O  O9  1  0.34  0.11  0.7  1.0
  O  O10  1  0.69  0.11  0.05  1.0
  O  O11  1  0.69  0.11  0.35  1.0
  O  O12  1  0.69  0.89  0.35  1.0
  O  O13  1  0.69  0.89  0.05  1.0

data_SrSmCoO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.37
_cell_length_b   5.4
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   113.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSmCoO4
_chemical_formula_sum   'Sr2 Sm2 Co2 O8'
_cell_volume   180.67
_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  0.07  0.65  0.39  1.0
  Sr  Sr1  1  0.93  0.95  0.24  1.0
  Sm  Sm2  1  0.42  0.95  0.73  1.0
  Sm  Sm3  1  0.58  0.65  0.89  1.0
  Co  Co4  1  0.12  0.65  0.43  1.0
  Co  Co5  1  0.88  0.95  0.19  1.0
  O  O6  1  0.11  0.95  0.42  1.0
  O  O7  1  0.11  -0.0  0.77  1.0
  O  O8  1  0.11  0.3  0.77  1.0
  O  O9  1  0.11  0.65  0.43  1.0
  O  O10  1  0.89  0.95  0.2  1.0
  O  O11  1  0.89  0.0  0.54  1.0
  O  O12  1  0.89  0.3  0.54  1.0
  O  O13  1  0.89  0.65  0.2  1.0

Sr Sr Sm Sm Co Co O O O O O O O O
Sr Sr Sm Sm Co Co O O O O O O O O 0 11 o o o 0 4 o o o 0 10 o o o 0 12 o - o 1 13 o o o 1 5 o o o 1 10 o + o 1 12 o o o 2 7 o o o 2 3 o o o 2 10 o o o 3 12 o o o 4 11 o o o 4 10 o o o 4 12 o - o 5 13 o o o 5 10 o + o 5 12 o o o 6 9 o + o 6 8 o o + 7 8 o - o 7 9 o o - 8 10 o + o 10 11 o o o 10 13 o - o 11 12 o - o 12 13 o o o 
SrSmCoO4 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one O(1), one O(6), and one O(7) atom. The Sr(1)-O(1) bond length is 2.56 Å. The Sr(1)-O(6) bond length is 0.27 Å. The Sr(1)-O(7) bond length is 1.26 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one O(3), one O(5), one O(7), and one O(8) atom. The Sr(2)-O(3) bond length is 2.18 Å. The Sr(2)-O(5) bond length is 1.26 Å. The Sr(2)-O(7) bond length is 1.64 Å. The Sr(2)-O(8) bond length is 0.27 Å. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 2-coordinate geometry to one O(2), one O(3), one O(4), and one O(5) atom. The Sm(1)-O(2) bond length is 1.78 Å. The Sm(1)-O(3) bond length is 3.25 Å. The Sm(1)-O(4) bond length is 2.58 Å. The Sm(1)-O(5) bond length is 2.08 Å. In the second Sm site, Sm(2) is bonded in a 1-coordinate geometry to one O(4) and one O(7) atom. The Sm(2)-O(4) bond length is 2.99 Å. The Sm(2)-O(7) bond length is 2.08 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one O(1) and one O(6) atom. The Co(1)-O(1) bond length is 2.54 Å. The Co(1)-O(6) bond length is 0.02 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one O(7) and one O(8) atom. The Co(2)-O(7) bond length is 1.62 Å. The Co(2)-O(8) bond length is 0.02 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Co(1), one O(3), and one O(4) atom. The O(1)-O(3) bond length is 1.62 Å. The O(1)-O(4) bond length is 1.53 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Sm(1), one O(3), and one O(4) atom. The O(2)-O(3) bond length is 1.53 Å. The O(2)-O(4) bond length is 1.62 Å. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), one Sm(1), one O(1), one O(2), and one O(5) atom. The O(3)-O(5) bond length is 1.72 Å. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one O(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Sr(2), one Sm(1), and one O(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Sr(1) and one Co(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sm(2), and one Co(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Sr(2) and one Co(2) atom.