data_[In20Hg8Bi8]
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]
_cell_length_a [22.4666]
_cell_length_b [6.9499]
_cell_length_c [7.1449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [In5(HgBi)2]
_chemical_formula_sum '[In20 Hg8 Bi8]'
_cell_volume [1082.4153]
_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  4  0.0713  0.7571  0.2724  1.0
  In  In1  4  0.1275  0.2677  0.4067  1.0
  In  In2  4  0.1598  0.1047  0.0031  1.0
  In  In3  4  0.1642  0.6466  0.7105  1.0
  In  In4  4  0.2251  0.4987  0.1607  1.0
  Hg  Hg5  4  0.0636  0.9967  0.6424  1.0
  Hg  Hg6  4  0.0706  0.4888  0.9471  1.0
  Bi  Bi7  4  0.2167  0.8753  0.3846  1.0
  Bi  Bi8  2  0.0000  0.0749  0.0000  1.0
  Bi  Bi9  2  0.0000  0.4818  0.5000  1.0
]