data_[Co2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4558]
_cell_length_b [7.2784]
_cell_length_c [19.2941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [93.9725]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CoCl3]
_chemical_formula_sum '[Co2 Cl6]'
_cell_volume [904.4157]
_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
[
  Co  Co0  2  0.3583  0.8081  0.9890  1
  Cl  Cl1  2  0.2653  0.7249  0.8887  1
  Cl  Cl2  2  0.2689  0.6436  0.0750  1
  Cl  Cl3  2  0.2929  0.1092  0.0080  1
]