data_[Hg12Bi2Sb2I4]
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
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6479]
_cell_length_b [8.3506]
_cell_length_c [8.0661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg6BiSbI2]
_chemical_formula_sum '[Hg12 Bi2 Sb2 I4]'
_cell_volume [744.8455]
_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  8  0.0518  0.2538  0.2980  1.0
  Hg  Hg1  4  0.2463  0.5000  0.1230  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
  I  I4  4  0.2496  0.5000  0.7383  1.0
]