data_[Cd4In20Hg4Bi8]
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 [Cmc2_1]
_cell_length_a [4.4593]
_cell_length_b [18.3977]
_cell_length_c [13.4704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CdIn5HgBi2]
_chemical_formula_sum '[Cd4 In20 Hg4 Bi8]'
_cell_volume [1105.1073]
_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  0.0000  0.1991  0.9761  1.0
  In  In1  4  0.0000  0.0586  0.1242  1.0
  In  In2  4  0.0000  0.2942  0.6531  1.0
  In  In3  4  0.0000  0.3282  0.3190  1.0
  In  In4  4  0.0000  0.3679  0.0016  1.0
  In  In5  4  0.0000  0.4819  0.7792  1.0
  Hg  Hg6  4  0.0000  0.4559  0.4779  1.0
  Bi  Bi7  4  0.0000  0.1170  0.6676  1.0
  Bi  Bi8  4  0.0000  0.1542  0.3254  1.0
]