data_[In16Hg8Bi4]
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 [Fmm2]
_cell_length_a [10.2157]
_cell_length_b [11.7103]
_cell_length_c [6.7619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [In4Hg2Bi]
_chemical_formula_sum '[In16 Hg8 Bi4]'
_cell_volume [808.9199]
_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  0.0000  0.2173  0.6014  1.0
  In  In1  8  0.1679  0.0000  0.3348  1.0
  Hg  Hg2  8  0.2500  0.2500  0.3552  1.0
  Bi  Bi3  4  0.0000  0.0000  0.9170  1.0
]