data_[Cd2Bi2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2771]
_cell_length_b [6.6672]
_cell_length_c [6.9674]
_cell_angle_alpha [103.0014]
_cell_angle_beta [105.5590]
_cell_angle_gamma [96.4462]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdBiSb]
_chemical_formula_sum '[Cd2 Bi2 Sb2]'
_cell_volume [183.3166]
_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  1  0.6350  0.2504  0.8750  1.0
  Cd  Cd1  1  0.6373  0.7562  0.8676  1.0
  Bi  Bi2  1  0.3012  0.0628  0.1874  1.0
  Bi  Bi3  1  0.3102  0.5825  0.1858  1.0
  Sb  Sb4  1  0.9687  0.2018  0.5388  1.0
  Sb  Sb5  1  0.9691  0.6356  0.5355  1.0
]