data_[Li6P6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2910]
_cell_length_b [9.1780]
_cell_length_c [17.9016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiPPb]
_chemical_formula_sum '[Li6 P6 Pb6]'
_cell_volume [1362.2138]
_cell_formula_units_Z [6]
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
[
  Li  Li0  4  0.3144  0.3374  0.4277  1
  Li  Li1  2  0.4459  0.5000  0.5511  1
  P  P2  4  0.0463  0.2883  0.4864  1
  P  P3  2  0.1529  0.5000  0.5290  1
  Pb  Pb4  4  0.2815  0.1802  0.5845  1
  Pb  Pb5  2  0.1636  0.0000  0.4225  1
]