data_[Cd6Sb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.7755]
_cell_length_b [7.7755]
_cell_length_c [18.0847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Cd6Sb5]
_chemical_formula_sum '[Cd6 Sb5]'
_cell_volume [946.8838]
_cell_formula_units_Z [1]
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  6  0.2084  0.4199  0.4282  1
  Sb  Sb1  3  0.0000  0.7523  0.5778  1
  Sb  Sb2  2  0.3333  0.6667  0.5987  1
]