data_[In2Hg4Bi2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.9846]
_cell_length_b [5.7812]
_cell_length_c [7.9882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InHg2BiBr4]
_chemical_formula_sum '[In2 Hg4 Bi2 Br8]'
_cell_volume [623.7395]
_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  2  0.2975  0.5000  0.9005  1.0
  Hg  Hg1  2  0.0555  0.5000  0.6534  1.0
  Hg  Hg2  2  0.4813  0.5000  0.7677  1.0
  Bi  Bi3  2  0.1377  0.0000  0.2180  1.0
  Br  Br4  2  0.1237  0.5000  0.1637  1.0
  Br  Br5  2  0.2683  0.0000  0.0369  1.0
  Br  Br6  2  0.2829  0.0000  0.5690  1.0
  Br  Br7  2  0.4733  0.5000  0.3037  1.0
]