data_[Co6Cl12]
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 [7.2147]
_cell_length_b [19.4894]
_cell_length_c [19.4894]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CoCl2]
_chemical_formula_sum '[Co6 Cl12]'
_cell_volume [2373.2622]
_cell_formula_units_Z [6]
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  0.1205  0.5433  0.0892  1
  Co  Co1  1  0.3723  0.3611  0.0064  1
  Co  Co2  1  0.4300  0.5938  0.9436  1
  Co  Co3  1  0.6204  0.4526  0.9107  1
  Co  Co4  1  0.8721  0.3562  0.9967  1
  Co  Co5  1  0.9300  0.6499  0.0539  1
  Cl  Cl6  1  0.0464  0.6714  0.1702  1
  Cl  Cl7  1  0.1227  0.2836  0.9891  1
  Cl  Cl8  1  0.1450  0.5531  0.9751  1
  Cl  Cl9  1  0.3624  0.4857  0.1120  1
  Cl  Cl10  1  0.3786  0.7068  0.9586  1
  Cl  Cl11  1  0.3797  0.3733  0.8979  1
  Cl  Cl12  1  0.5462  0.4976  0.8280  1
  Cl  Cl13  1  0.6227  0.2970  0.0155  1
  Cl  Cl14  1  0.6451  0.5776  0.0234  1
  Cl  Cl15  1  0.8622  0.3725  0.8894  1
  Cl  Cl16  1  0.8782  0.7465  0.0367  1
  Cl  Cl17  1  0.8797  0.4779  0.1036  1
]