data_[P3Pb4]
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
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.4142]
_cell_length_b [5.4142]
_cell_length_c [6.8376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [P3Pb4]
_chemical_formula_sum '[P3 Pb4]'
_cell_volume [173.5793]
_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  3  0.0000  0.5000  0.0000  1
  Pb  Pb1  2  0.0000  0.0000  0.2416  1
  Pb  Pb2  2  0.3333  0.6667  0.5000  1
]