data_[Li7Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7397]
_cell_length_b [4.7397]
_cell_length_c [8.5861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li7Pb2]
_chemical_formula_sum '[Li7 Pb2]'
_cell_volume [167.0421]
_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
[
  Li  Li0  2  0.0000  0.0000  0.3243  1.0
  Li  Li1  2  0.3333  0.6667  0.5763  1.0
  Li  Li2  2  0.3333  0.6667  0.8967  1.0
  Li  Li3  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb4  2  0.3333  0.6667  0.2360  1.0
]