data_[Cd4In4Hg2Bi2]
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 [7.3305]
_cell_length_b [6.2222]
_cell_length_c [7.3960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd2In2HgBi]
_chemical_formula_sum '[Cd4 In4 Hg2 Bi2]'
_cell_volume [334.2886]
_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  4  0.2428  0.5041  0.2177  1.0
  In  In1  2  0.1079  0.2500  0.5949  1.0
  In  In2  2  0.4297  0.7500  0.5583  1.0
  Hg  Hg3  2  0.4136  0.2500  0.9132  1.0
  Bi  Bi4  2  0.1281  0.7500  0.8321  1.0
]