data_CaYGa3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYGa3O7
_chemical_formula_sum   'Ca2 Y2 Ga6 O14'
_cell_volume   328.59
_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
  Ca  Ca0  1  0.58  0.19  0.7  1.0
  Ca  Ca1  1  0.58  0.81  0.7  1.0
  Y  Y2  1  0.37  0.0  0.53  1.0
  Y  Y3  1  0.78  0.0  0.53  1.0
  Ga  Ga4  1  0.79  0.81  0.01  1.0
  Ga  Ga5  1  0.79  0.19  0.01  1.0
  Ga  Ga6  1  0.58  0.38  0.04  1.0
  Ga  Ga7  1  0.52  0.0  0.19  1.0
  Ga  Ga8  1  0.58  0.62  0.04  1.0
  Ga  Ga9  1  0.64  0.0  0.19  1.0
  O  O10  1  0.98  0.6  0.11  1.0
  O  O11  1  0.66  0.38  0.14  1.0
  O  O12  1  0.18  0.4  0.11  1.0
  O  O13  1  0.5  0.62  0.14  1.0
  O  O14  1  0.5  0.38  0.14  1.0
  O  O15  1  0.98  0.4  0.11  1.0
  O  O16  1  0.66  0.62  0.14  1.0
  O  O17  1  0.18  0.6  0.11  1.0
  O  O18  1  0.58  0.55  0.63  1.0
  O  O19  1  0.46  0.0  0.61  1.0
  O  O20  1  0.58  0.45  0.63  1.0
  O  O21  1  0.7  0.0  0.61  1.0
  O  O22  1  0.0  0.0  0.05  1.0
  O  O23  1  0.58  0.0  0.09  1.0

data_CaYGa3O7
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.23
_cell_length_b   7.92
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaYGa3O7
_chemical_formula_sum   'Ca2 Y2 Ga6 O14'
_cell_volume   328.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ca  Ca0  2  0.7  0.19  0.58  1.0
  Y  Y1  1  0.53  0.0  0.37  1.0
  Y  Y2  1  0.53  0.0  0.78  1.0
  Ga  Ga3  2  0.01  0.19  0.79  1.0
  Ga  Ga4  2  0.04  0.38  0.58  1.0
  Ga  Ga5  1  0.19  0.0  0.52  1.0
  Ga  Ga6  1  0.19  0.0  0.64  1.0
  O  O7  2  0.11  0.4  0.98  1.0
  O  O8  2  0.11  0.4  0.18  1.0
  O  O9  2  0.14  0.38  0.5  1.0
  O  O10  2  0.14  0.38  0.66  1.0
  O  O11  2  0.63  0.45  0.58  1.0
  O  O12  1  0.05  0.0  0.0  1.0
  O  O13  1  0.09  0.0  0.58  1.0
  O  O14  1  0.61  0.0  0.46  1.0
  O  O15  1  0.61  0.0  0.7  1.0

Ca Ca Y Y Ga Ga Ga Ga Ga Ga O O O O O O O O O O O O O O
Ca Ca Y Y Ga Ga Ga Ga Ga Ga O O O O O O O O O O O O O O 0 19 o o o 0 20 o o o 0 21 o o o 0 5 o o + 1 19 o + o 1 18 o o o 1 21 o + o 1 4 o o + 2 19 o o o 3 21 o o o 4 16 o o o 4 8 o o o 4 23 o + o 4 9 o + o 4 10 o o o 4 22 + + o 5 23 o o o 5 9 o o o 5 11 o o o 5 6 o o o 5 22 + o o 5 15 o o o 6 14 o o o 6 11 o o o 7 23 o o o 8 13 o o o 8 16 o o o 9 23 o o o 10 15 o o o 10 17 + o o 12 17 o o o 12 15 - o o 18 20 o o o 