data_[Co4Br2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6045]
_cell_length_b [3.3663]
_cell_length_c [6.8353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.9348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Co2BrCl]
_chemical_formula_sum '[Co4 Br2 Cl2]'
_cell_volume [158.2561]
_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  0.2162  0.5000  0.8686  1
  Br  Br1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  2  0.0000  0.5000  0.0000  1
]