data_[Cd4In2Hg2Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2588]
_cell_length_b [3.2588]
_cell_length_c [25.4781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Cd4In2Hg2Pb]
_chemical_formula_sum '[Cd4 In2 Hg2 Pb1]'
_cell_volume [234.3157]
_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  1  0.0000  0.0000  0.2336  1.0
  Cd  Cd1  1  0.0000  0.0000  0.4412  1.0
  Cd  Cd2  1  0.6667  0.3333  0.1300  1.0
  Cd  Cd3  1  0.6667  0.3333  0.9223  1.0
  In  In4  1  0.6667  0.3333  0.5565  1.0
  In  In5  1  0.6667  0.3333  0.7973  1.0
  Hg  Hg6  1  0.0000  0.0000  0.0253  1.0
  Hg  Hg7  1  0.6667  0.3333  0.3387  1.0
  Pb  Pb8  1  0.0000  0.0000  0.6778  1.0
]