data_[Y12In8]
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
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.4907]
_cell_length_b [8.4907]
_cell_length_c [7.9842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Y3In2]
_chemical_formula_sum '[Y12 In8]'
_cell_volume [575.5961]
_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  0.5000  0.2500  1.0
  Y  Y1  4  0.1544  0.8456  0.5000  1.0
  Y  Y2  4  0.1952  0.8048  0.0000  1.0
  In  In3  8  0.1265  0.1265  0.2135  1.0
]