data_[P4Br12O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.4915]
_cell_length_b [7.9257]
_cell_length_c [15.5859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [PBr3O]
_chemical_formula_sum '[P4 Br12 O4]'
_cell_volume [735.8368]
_cell_formula_units_Z [4]
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  4  0.3863  0.0203  0.1634  1
  Br  Br1  4  0.0874  0.4982  0.1981  1
  Br  Br2  4  0.3725  0.2170  0.5753  1
  Br  Br3  4  0.3862  0.2445  0.0663  1
  O  O4  4  0.3442  0.0203  0.2665  1
]