data_[Cr4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [20.9436]
_cell_length_b [3.5243]
_cell_length_c [12.5790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CrCl2]
_chemical_formula_sum '[Cr4 Cl8]'
_cell_volume [928.4703]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  4  0.0690  0.0252  0.6497  1
  Cl  Cl1  4  0.1419  0.4741  0.1293  1
  Cl  Cl2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  2  0.0000  0.4907  0.2500  1
]