data_[Y12In4O24]
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 [8.9914]
_cell_length_b [11.2686]
_cell_length_c [5.6159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y3InO6]
_chemical_formula_sum '[Y12 In4 O24]'
_cell_volume [569.0087]
_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  0.1964  0.1064  0.0251  1.0
  Y  Y1  4  0.0000  0.3996  0.0785  1.0
  In  In2  4  0.0000  0.1828  0.5089  1.0
  O  O3  8  0.1607  0.4813  0.8030  1.0
  O  O4  8  0.1649  0.2666  0.3025  1.0
  O  O5  4  0.0000  0.0259  0.3000  1.0
  O  O6  4  0.0000  0.2187  0.8661  1.0
]