data_[P6Pb10Br2O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [10.2029]
_cell_length_b [10.2029]
_cell_length_c [7.4339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [P3Pb5BrO12]
_chemical_formula_sum '[P6 Pb10 Br2 O24]'
_cell_volume [670.1804]
_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  6  0.0354  0.4104  0.2499  1
  Pb  Pb1  6  0.0084  0.7464  0.2493  1
  Pb  Pb2  2  0.3333  0.6667  0.5037  1
  Pb  Pb3  2  0.3333  0.6667  0.9962  1
  Br  Br4  2  0.0000  0.0000  0.4904  1
  O  O5  6  0.0913  0.3623  0.0808  1
  O  O6  6  0.0918  0.3627  0.4190  1
  O  O7  6  0.1214  0.5896  0.2499  1
  O  O8  6  0.1384  0.6542  0.7501  1
]