data_[P7Br10]
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 [P31m]
_cell_length_a [11.4491]
_cell_length_b [11.4491]
_cell_length_c [20.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [P7Br10]
_chemical_formula_sum '[P7 Br10]'
_cell_volume [2281.2750]
_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  6  0.2667  0.7324  0.6002  1
  P  P1  1  0.0000  0.0000  0.3827  1
  Br  Br2  6  0.2259  0.7715  0.4969  1
  Br  Br3  3  0.0000  0.8088  0.3466  1
  Br  Br4  1  0.0000  0.0000  0.4950  1
]