data_[Co4Cl8]
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 [Pm]
_cell_length_a [13.6749]
_cell_length_b [3.4724]
_cell_length_c [20.8320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CoCl2]
_chemical_formula_sum '[Co4 Cl8]'
_cell_volume [989.1911]
_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
[
  Co  Co0  1  0.0449  0.5000  0.4484  1
  Co  Co1  1  0.4493  0.0000  0.4398  1
  Co  Co2  1  0.5465  0.5000  0.5377  1
  Co  Co3  1  0.9577  0.0000  0.5503  1
  Cl  Cl4  1  0.0407  0.0000  0.3753  1
  Cl  Cl5  1  0.1161  0.0000  0.5201  1
  Cl  Cl6  1  0.3854  0.5000  0.5145  1
  Cl  Cl7  1  0.4463  0.5000  0.3668  1
  Cl  Cl8  1  0.6017  0.5000  0.6317  1
  Cl  Cl9  1  0.6093  0.0000  0.4766  1
  Cl  Cl10  1  0.8888  0.5000  0.4921  1
  Cl  Cl11  1  0.9132  0.0000  0.6467  1
]