data_[Li2Pb10]
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 [Amm2]
_cell_length_a [5.4818]
_cell_length_b [3.7487]
_cell_length_c [17.3798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiPb5]
_chemical_formula_sum '[Li2 Pb10]'
_cell_volume [357.1503]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0087  1.0
  Pb  Pb1  2  0.0000  0.0000  0.3443  1.0
  Pb  Pb2  2  0.0000  0.0000  0.6656  1.0
  Pb  Pb3  2  0.5000  0.0000  0.2171  1.0
  Pb  Pb4  2  0.5000  0.0000  0.5446  1.0
  Pb  Pb5  2  0.5000  0.0000  0.8864  1.0
]