data_[Y12In4O4]
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 [I4/mmm]
_cell_length_a [4.6251]
_cell_length_b [4.6251]
_cell_length_c [22.0761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Y3InO]
_chemical_formula_sum '[Y12 In4 O4]'
_cell_volume [472.2386]
_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  4  0.0000  0.0000  0.1236  1.0
  Y  Y1  4  0.0000  0.5000  0.0000  1.0
  Y  Y2  4  0.0000  0.5000  0.2500  1.0
  In  In3  4  0.0000  0.0000  0.3852  1.0
  O  O4  4  0.0000  0.0000  0.2250  1.0
]