data_[Co6N2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [20.7226]
_cell_length_b [11.9614]
_cell_length_c [3.5713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Co3NCl3]
_chemical_formula_sum '[Co6 N2 Cl6]'
_cell_volume [885.2336]
_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  4  0.4196  0.4339  0.8816  1
  Co  Co1  2  0.5000  0.2609  0.8669  1
  N  N2  2  0.5000  0.4078  0.8836  1
  Cl  Cl3  4  0.3619  0.3682  0.3819  1
  Cl  Cl4  2  0.5000  0.1505  0.3671  1
]