data_[Co1Se2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0388]
_cell_length_b [8.0241]
_cell_length_c [10.0242]
_cell_angle_alpha [74.4995]
_cell_angle_beta [78.6726]
_cell_angle_gamma [88.5915]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Co(SeBr3)2]
_chemical_formula_sum '[Co1 Se2 Br6]'
_cell_volume [306.8157]
_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  0.0000  0.5000  0.5000  1.0
  Se  Se1  2  0.2713  0.7054  0.3018  1.0
  Br  Br2  2  0.0097  0.9763  0.2990  1.0
  Br  Br3  2  0.1519  0.6611  0.0899  1.0
  Br  Br4  2  0.3710  0.6434  0.5998  1.0
]