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 [P1]
_cell_length_a [3.5920]
_cell_length_b [6.0331]
_cell_length_c [22.0621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [89.9920]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CoCl3]
_chemical_formula_sum '[Co2 Cl6]'
_cell_volume [478.1048]
_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  1  0.2736  0.0339  0.5607  1
  Co  Co1  1  0.7736  0.5327  0.5608  1
  Cl  Cl2  1  0.0995  0.1544  0.3011  1
  Cl  Cl3  1  0.2616  0.4459  0.3343  1
  Cl  Cl4  1  0.2735  0.3679  0.6212  1
  Cl  Cl5  1  0.2737  0.6988  0.5005  1
  Cl  Cl6  1  0.7736  0.8679  0.6210  1
  Cl  Cl7  1  0.7736  0.1988  0.5004  1
]