data_[P1Br2Cl9]
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 [P-1]
_cell_length_a [7.5227]
_cell_length_b [7.6718]
_cell_length_c [8.1117]
_cell_angle_alpha [90.6628]
_cell_angle_beta [115.1483]
_cell_angle_gamma [90.3280]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PBr2Cl9]
_chemical_formula_sum '[P1 Br2 Cl9]'
_cell_volume [423.7100]
_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
[
  P  P0  1  0.5000  0.5000  0.5000  1.0
  Br  Br1  2  0.3149  0.8275  0.7779  1.0
  Cl  Cl2  2  0.1064  0.0559  0.7792  1.0
  Cl  Cl3  2  0.1906  0.4903  0.4060  1.0
  Cl  Cl4  2  0.4579  0.4028  0.2146  1.0
  Cl  Cl5  2  0.4820  0.7590  0.4068  1.0
  Cl  Cl6  1  0.0000  0.0000  0.0000  1.0
]