data_[La20Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6604]
_cell_length_b [6.1638]
_cell_length_c [9.3865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La5Pb2]
_chemical_formula_sum '[La20 Pb8]'
_cell_volume [958.2335]
_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
[
  La  La0  8  0.1210  0.2023  0.4472  1.0
  La  La1  8  0.2198  0.3899  0.8182  1.0
  La  La2  4  0.0000  0.2523  0.7500  1.0
  Pb  Pb3  8  0.0884  0.2950  0.0933  1.0
]