data_[Cd3Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9086]
_cell_length_b [3.9086]
_cell_length_c [19.0194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CdCl2]
_chemical_formula_sum '[Cd3 Cl6]'
_cell_volume [251.6393]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.4166  1.0
  Cd  Cd1  1  0.0000  0.0000  0.7501  1.0
  Cd  Cd2  1  0.3333  0.6667  0.0833  1.0
  Cl  Cl3  1  0.0000  0.0000  0.0074  1.0
  Cl  Cl4  1  0.3333  0.6667  0.3406  1.0
  Cl  Cl5  1  0.3333  0.6667  0.6742  1.0
  Cl  Cl6  1  0.6667  0.3333  0.1592  1.0
  Cl  Cl7  1  0.6667  0.3333  0.4925  1.0
  Cl  Cl8  1  0.6667  0.3333  0.8261  1.0
]