data_[Cd4In4Hg16Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6188]
_cell_length_b [6.4599]
_cell_length_c [6.6272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdInHg4Bi]
_chemical_formula_sum '[Cd4 In4 Hg16 Bi4]'
_cell_volume [785.4481]
_cell_formula_units_Z [4]
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  4  0.2434  0.0000  0.9855  1.0
  In  In1  4  0.1773  0.5000  0.5637  1.0
  Hg  Hg2  8  0.1255  0.2583  0.1430  1.0
  Hg  Hg3  4  0.0260  0.5000  0.7305  1.0
  Hg  Hg4  4  0.1643  0.0000  0.5570  1.0
  Bi  Bi5  4  0.0168  0.0000  0.7418  1.0
]