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 [C2/m]
_cell_length_a [8.7762]
_cell_length_b [11.5739]
_cell_length_c [4.3736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg2BiI2]
_chemical_formula_sum '[Hg4 Bi2 I4]'
_cell_volume [418.8055]
_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  4  0.1239  0.5000  0.8382  1.0
  Bi  Bi1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.0000  0.1930  0.5000  1.0
]