data_[Cd14Hg6Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2730]
_cell_length_b [10.9061]
_cell_length_c [5.9768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd7Hg3Bi]
_chemical_formula_sum '[Cd14 Hg6 Bi2]'
_cell_volume [585.0482]
_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
[
  Cd  Cd0  8  0.1758  0.2338  0.6666  1
  Cd  Cd1  4  0.1715  0.0000  0.0672  1
  Cd  Cd2  2  0.0000  0.5000  0.0000  1
  Hg  Hg3  4  0.0000  0.2332  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.5000  1
  Bi  Bi5  2  0.0000  0.5000  0.5000  1
]