data_[Cd6P2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.7989]
_cell_length_b [7.7989]
_cell_length_c [7.2573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cd3PCl3]
_chemical_formula_sum '[Cd6 P2 Cl6]'
_cell_volume [382.2758]
_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  3  0.0000  0.5000  0.0000  1.0
  Cd  Cd1  2  0.3333  0.6667  0.4852  1.0
  Cd  Cd2  1  0.0000  0.0000  0.5000  1.0
  P  P3  2  0.3333  0.6667  0.1421  1.0
  Cl  Cl4  6  0.1713  0.3425  0.6906  1.0
]