data_[Cd12Hg4Bi2]
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 [10.2351]
_cell_length_b [7.1226]
_cell_length_c [6.8335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd6Hg2Bi]
_chemical_formula_sum '[Cd12 Hg4 Bi2]'
_cell_volume [482.6005]
_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  0.0910  0.2802  0.7067  1.0
  Cd  Cd1  4  0.1921  0.0000  0.4301  1.0
  Hg  Hg2  4  0.1582  0.5000  0.1194  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
]