data_[In8Hg10Bi2]
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 [Pmmn]
_cell_length_a [8.9619]
_cell_length_b [9.7724]
_cell_length_c [6.6702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [In4Hg5Bi]
_chemical_formula_sum '[In8 Hg10 Bi2]'
_cell_volume [584.1690]
_cell_formula_units_Z [2]
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  0.0000  0.3035  0.6630  1.0
  In  In1  4  0.2163  0.5000  0.4080  1.0
  Hg  Hg2  8  0.1696  0.1948  0.2066  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0328  1.0
  Bi  Bi4  2  0.0000  0.0000  0.8644  1.0
]