data_[In2Hg8Bi1]
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 [P4/mmm]
_cell_length_a [5.0448]
_cell_length_b [5.0448]
_cell_length_c [12.2751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [In2Hg8Bi]
_chemical_formula_sum '[In2 Hg8 Bi1]'
_cell_volume [312.4052]
_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  0.0000  0.0000  0.3247  1
  Hg  Hg1  4  0.0000  0.5000  0.1574  1
  Hg  Hg2  2  0.0000  0.5000  0.5000  1
  Hg  Hg3  2  0.5000  0.5000  0.3246  1
  Bi  Bi4  1  0.0000  0.0000  0.0000  1
]