data_[Cd2In4Hg4Bi2]
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 [Pmc2_1]
_cell_length_a [4.6312]
_cell_length_b [10.5860]
_cell_length_c [6.8282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CdIn2Hg2Bi]
_chemical_formula_sum '[Cd2 In4 Hg4 Bi2]'
_cell_volume [334.7625]
_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  2  0.0000  0.4924  0.4021  1.0
  In  In1  2  0.0000  0.1461  0.8637  1.0
  In  In2  2  0.5000  0.3138  0.1445  1.0
  Hg  Hg3  2  0.0000  0.1811  0.3727  1.0
  Hg  Hg4  2  0.5000  0.0169  0.5883  1.0
  Bi  Bi5  2  0.5000  0.3515  0.6743  1.0
]