data_[Co1Ni3Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.5267]
_cell_length_b [6.7399]
_cell_length_c [19.0227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CoNi3Cl8]
_chemical_formula_sum '[Co1 Ni3 Cl8]'
_cell_volume [836.7859]
_cell_formula_units_Z [1]
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  0.1103  0.5000  0.5425  1
  Ni  Ni1  2  0.4369  0.1962  0.4869  1
  Ni  Ni2  1  0.8768  0.0000  0.4407  1
  Cl  Cl3  2  0.0977  0.2560  0.4404  1
  Cl  Cl4  2  0.3077  0.2598  0.5943  1
  Cl  Cl5  1  0.5563  0.5000  0.4449  1
  Cl  Cl6  1  0.5563  0.0000  0.3876  1
  Cl  Cl7  1  0.7046  0.0000  0.5419  1
  Cl  Cl8  1  0.8326  0.5000  0.5991  1
]