data_[P2Br2]
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 [P-1]
_cell_length_a [4.4696]
_cell_length_b [5.9416]
_cell_length_c [6.2046]
_cell_angle_alpha [92.9033]
_cell_angle_beta [93.9474]
_cell_angle_gamma [108.5572]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PBr]
_chemical_formula_sum '[P2 Br2]'
_cell_volume [155.3762]
_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  0.3421  0.5041  0.3734  1
  Br  Br1  2  0.3276  0.1903  0.7818  1
]