data_[Hg4Bi2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7308]
_cell_length_b [7.7736]
_cell_length_c [8.1067]
_cell_angle_alpha [78.9786]
_cell_angle_beta [62.1044]
_cell_angle_gamma [72.0068]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg2BiI2]
_chemical_formula_sum '[Hg4 Bi2 I4]'
_cell_volume [408.8854]
_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
[
  Hg  Hg0  2  0.1146  0.6035  0.1886  1.0
  Hg  Hg1  2  0.3574  0.7802  0.6467  1.0
  Bi  Bi2  2  0.2119  0.9300  0.9930  1.0
  I  I3  2  0.1094  0.2471  0.3488  1.0
  I  I4  2  0.4266  0.3076  0.7323  1.0
]