data_[Cr8Cl8O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9337]
_cell_length_b [5.0159]
_cell_length_c [8.9523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.8661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr2Cl2O]
_chemical_formula_sum '[Cr8 Cl8 O4]'
_cell_volume [439.1989]
_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  0.0014  0.5000  0.1656  1
  Cr  Cr1  4  0.1749  0.0000  0.7458  1
  Cl  Cl2  4  0.0625  0.0000  0.3698  1
  Cl  Cl3  4  0.1774  0.5000  0.8070  1
  O  O4  4  0.1347  0.5000  0.1279  1
]