data_[In24Hg12Bi4]
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 [Cmc2_1]
_cell_length_a [9.7239]
_cell_length_b [14.3941]
_cell_length_c [8.2425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In6Hg3Bi]
_chemical_formula_sum '[In24 Hg12 Bi4]'
_cell_volume [1153.6849]
_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  8  0.1862  0.3033  0.2128  1.0
  In  In1  8  0.2269  0.4253  0.8898  1.0
  In  In2  4  0.0000  0.0245  0.7313  1.0
  In  In3  4  0.0000  0.2705  0.8651  1.0
  Hg  Hg4  8  0.1905  0.1155  0.0283  1.0
  Hg  Hg5  4  0.0000  0.4890  0.1615  1.0
  Bi  Bi6  4  0.0000  0.2000  0.4949  1.0
]