data_[Y24In12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.2768]
_cell_length_b [14.1356]
_cell_length_c [6.3442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y6In3O]
_chemical_formula_sum '[Y24 In12 O4]'
_cell_volume [1100.9729]
_cell_formula_units_Z [4]
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
[
  Y  Y0  8  0.1551  0.2934  0.6981  1.0
  Y  Y1  8  0.2233  0.4520  0.1713  1.0
  Y  Y2  4  0.0000  0.0891  0.5144  1.0
  Y  Y3  4  0.0000  0.3050  0.2187  1.0
  In  In4  8  0.1207  0.1215  0.0349  1.0
  In  In5  4  0.0000  0.4804  0.8997  1.0
  O  O6  4  0.0000  0.2494  0.5439  1.0
]