data_[Cd7Hg4Bi1]
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 [P-3m1]
_cell_length_a [4.7497]
_cell_length_b [4.7497]
_cell_length_c [15.7423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cd7Hg4Bi]
_chemical_formula_sum '[Cd7 Hg4 Bi1]'
_cell_volume [307.5549]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2425  1
  Cd  Cd1  2  0.3333  0.6667  0.1593  1
  Cd  Cd2  2  0.3333  0.6667  0.4041  1
  Cd  Cd3  1  0.0000  0.0000  0.0000  1
  Hg  Hg4  2  0.3333  0.6667  0.6769  1
  Hg  Hg5  2  0.3333  0.6667  0.9172  1
  Bi  Bi6  1  0.0000  0.0000  0.5000  1
]