data_[Zr24In8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5199]
_cell_length_b [8.9576]
_cell_length_c [10.0888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.8464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr3InBi]
_chemical_formula_sum '[Zr24 In8 Bi8]'
_cell_volume [962.0673]
_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
[
  Zr  Zr0  8  0.1043  0.1608  0.0620  1
  Zr  Zr1  8  0.1091  0.4006  0.5709  1
  Zr  Zr2  8  0.2362  0.3857  0.4004  1
  In  In3  4  0.0000  0.1970  0.2500  1
  In  In4  4  0.0000  0.4118  0.7500  1
  Bi  Bi5  8  0.1742  0.8839  0.3061  1
]