data_[Re2P2Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5418]
_cell_length_b [6.7973]
_cell_length_c [18.3569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [105.5762]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Re2P2Br3]
_chemical_formula_sum '[Re2 P2 Br3]'
_cell_volume [666.0902]
_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
[
  Re  Re0  1  0.4652  0.4387  0.4994  1
  Re  Re1  1  0.9486  0.4418  0.4986  1
  P  P2  1  0.2861  0.6792  0.4472  1
  P  P3  1  0.7760  0.6598  0.4396  1
  Br  Br4  1  0.1234  0.1872  0.4283  1
  Br  Br5  1  0.2346  0.5264  0.6112  1
  Br  Br6  1  0.6175  0.1688  0.5757  1
]