data_[Cr4H8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.2070]
_cell_length_b [6.2134]
_cell_length_c [11.2395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cr(HCl)2]
_chemical_formula_sum '[Cr4 H8 Cl8]'
_cell_volume [432.9571]
_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  0.0000  0.0292  0.2500  1
  H  H1  8  0.2073  0.2930  0.5027  1
  Cl  Cl2  8  0.2443  0.2788  0.1775  1
]