data_[In12Hg20Bi8]
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 [C2/c]
_cell_length_a [10.3378]
_cell_length_b [20.6967]
_cell_length_c [5.6118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In3Hg5Bi2]
_chemical_formula_sum '[In12 Hg20 Bi8]'
_cell_volume [1158.4925]
_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  0.1509  0.3531  0.6368  1
  In  In1  4  0.0000  0.0460  0.2500  1
  Hg  Hg2  8  0.1018  0.8443  0.0938  1
  Hg  Hg3  8  0.2430  0.0458  0.9720  1
  Hg  Hg4  4  0.0000  0.4535  0.2500  1
  Bi  Bi5  8  0.1272  0.2697  0.1169  1
]