data_[Y8In8]
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 [Pnma]
_cell_length_a [8.0750]
_cell_length_b [4.9140]
_cell_length_c [11.2566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YIn]
_chemical_formula_sum '[Y8 In8]'
_cell_volume [446.6696]
_cell_formula_units_Z [8]
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  0.0952  0.2500  0.7436  1.0
  Y  Y1  4  0.1642  0.7500  0.9777  1.0
  In  In2  4  0.1013  0.7500  0.5023  1.0
  In  In3  4  0.1498  0.2500  0.1976  1.0
]