data_[In12Hg20Bi4]
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 [I4/mcm]
_cell_length_a [7.5720]
_cell_length_b [7.5720]
_cell_length_c [18.2128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [In3Hg5Bi]
_chemical_formula_sum '[In12 Hg20 Bi4]'
_cell_volume [1044.2383]
_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  0.1389  0.3611  0.0000  1.0
  In  In1  4  0.0000  0.0000  0.2500  1.0
  Hg  Hg2  16  0.2139  0.2861  0.3621  1.0
  Hg  Hg3  4  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  4  0.0000  0.5000  0.2500  1.0
]