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 [Cm]
_cell_length_a [7.2269]
_cell_length_b [6.5621]
_cell_length_c [21.3604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd3PCl3]
_chemical_formula_sum '[Cd6 P2 Cl6]'
_cell_volume [1012.9865]
_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  0.3404  0.2505  0.5169  1
  Cd  Cd1  2  0.0742  0.5000  0.5952  1
  P  P2  2  0.0872  0.0000  0.4421  1
  Cl  Cl3  4  0.0813  0.2407  0.3770  1
  Cl  Cl4  2  0.3082  0.5000  0.6748  1
]