data_[K4P4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8764]
_cell_length_b [11.3642]
_cell_length_c [11.9758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KPBr4]
_chemical_formula_sum '[K4 P4 Br16]'
_cell_volume [929.5337]
_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
[
  K  K0  4  0.2720  0.0327  0.2571  1
  P  P1  4  0.1041  0.6748  0.0686  1
  Br  Br2  4  0.0971  0.1504  0.9497  1
  Br  Br3  4  0.1833  0.6269  0.2732  1
  Br  Br4  4  0.2682  0.0268  0.5355  1
  Br  Br5  4  0.3886  0.7166  0.6217  1
]