data_[P2Br2F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4864]
_cell_length_b [3.2461]
_cell_length_c [4.9273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PBrF]
_chemical_formula_sum '[P2 Br2 F2]'
_cell_volume [175.6533]
_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  0.2579  0.0000  0.0162  1
  Br  Br1  2  0.0582  0.0000  0.8607  1
  F  F2  2  0.2809  0.0000  0.3586  1
]