data_[Cd4In2Hg4Bi2]
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 [P2_1/m]
_cell_length_a [7.4930]
_cell_length_b [5.9170]
_cell_length_c [7.6552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd2InHg2Bi]
_chemical_formula_sum '[Cd4 In2 Hg4 Bi2]'
_cell_volume [331.1760]
_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  0.0815  0.7500  0.5457  1
  Cd  Cd1  2  0.4968  0.7500  0.5975  1
  In  In2  2  0.3468  0.7500  0.9441  1
  Hg  Hg3  4  0.1386  0.0028  0.1941  1
  Bi  Bi4  2  0.3095  0.2500  0.7141  1
]