data_[P2Br6Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.5248]
_cell_length_b [7.1423]
_cell_length_c [9.9339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [PBr3Cl]
_chemical_formula_sum '[P2 Br6 Cl2]'
_cell_volume [462.9321]
_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  0.2000  0.7720  0.7504  1
  Br  Br1  2  0.2045  0.4467  0.7488  1
  Br  Br2  2  0.3178  0.9087  0.9469  1
  Br  Br3  2  0.3262  0.9165  0.5592  1
  Cl  Cl4  2  0.1052  0.3368  0.2536  1
]