data_[P3Pb9O12F9]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [12.5224]
_cell_length_b [12.5224]
_cell_length_c [4.7581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PPb3O4F3]
_chemical_formula_sum '[P3 Pb9 O12 F9]'
_cell_volume [646.1605]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.9982  1.0
  Pb  Pb1  9  0.2185  0.4394  0.1349  1.0
  O  O2  9  0.1367  0.0798  0.9078  1.0
  O  O3  3  0.0000  0.0000  0.3316  1.0
  F  F4  9  0.0677  0.4874  0.1140  1.0
]