data_[Co2P2Br4]
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 [Cm]
_cell_length_a [6.0727]
_cell_length_b [3.5060]
_cell_length_c [8.6138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoPBr2]
_chemical_formula_sum '[Co2 P2 Br4]'
_cell_volume [183.2964]
_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  2  0.4547  0.0000  0.5489  1.0
  P  P1  2  0.1267  0.0000  0.6618  1.0
  Br  Br2  2  0.1391  0.0000  0.9191  1.0
  Br  Br3  2  0.2796  0.5000  0.3701  1.0
]