data_[Co6P4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.9688]
_cell_length_b [11.7816]
_cell_length_c [18.4558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Co3P2Br3]
_chemical_formula_sum '[Co6 P4 Br6]'
_cell_volume [1732.7326]
_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  0.1222  0.6627  0.5326  1
  Co  Co1  2  0.0000  0.9964  0.5000  1
  P  P2  4  0.1063  0.8390  0.5364  1
  Br  Br3  4  0.1251  0.1077  0.4064  1
  Br  Br4  2  0.0000  0.4840  0.5000  1
]