data_[P10Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.2290]
_cell_length_b [3.4777]
_cell_length_c [10.8728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [P5Br]
_chemical_formula_sum '[P10 Br2]'
_cell_volume [230.9446]
_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
[
  P  P0  2  0.0495  0.0000  0.5718  1
  P  P1  2  0.1336  0.5000  0.4276  1
  P  P2  2  0.2803  0.0000  0.3176  1
  P  P3  2  0.2850  0.5000  0.8166  1
  P  P4  2  0.3896  0.0000  0.6982  1
  Br  Br5  2  0.0288  0.0000  0.0016  1
]