data_[In64Hg24Bi28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [15.2393]
_cell_length_b [15.2393]
_cell_length_c [15.2393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [In16Hg6Bi7]
_chemical_formula_sum '[In64 Hg24 Bi28]'
_cell_volume [3539.1214]
_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
[
  In  In0  32  0.1164  0.1164  0.3836  1
  In  In1  32  0.1279  0.1279  0.1279  1
  Hg  Hg2  24  0.0000  0.0000  0.2471  1
  Bi  Bi3  24  0.0000  0.2500  0.2500  1
  Bi  Bi4  4  0.0000  0.0000  0.0000  1
]