data_[In9Hg4Bi2]
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 [P-1]
_cell_length_a [3.4364]
_cell_length_b [7.1447]
_cell_length_c [17.5959]
_cell_angle_alpha [98.8758]
_cell_angle_beta [93.8510]
_cell_angle_gamma [102.5262]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [In9(Hg2Bi)2]
_chemical_formula_sum '[In9 Hg4 Bi2]'
_cell_volume [414.4066]
_cell_formula_units_Z [1]
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  2  0.0077  0.3252  0.3025  1
  In  In1  2  0.0162  0.1157  0.0958  1
  In  In2  2  0.3335  0.0935  0.4296  1
  In  In3  2  0.3468  0.6938  0.0414  1
  In  In4  1  0.0000  0.5000  0.5000  1
  Hg  Hg5  2  0.3052  0.5049  0.8328  1
  Hg  Hg6  2  0.3346  0.2926  0.6273  1
  Bi  Bi7  2  0.3406  0.9143  0.2332  1
]