data_[Li4La8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.9204]
_cell_length_b [13.6669]
_cell_length_c [6.7540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li(LaPb)2]
_chemical_formula_sum '[Li4 La8 Pb8]'
_cell_volume [638.7954]
_cell_formula_units_Z [4]
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  0.0000  0.5000  0.2500  1.0
  La  La1  8  0.2137  0.1368  0.5000  1.0
  Pb  Pb2  8  0.2298  0.6173  0.0000  1.0
]