data_[La20As8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.1066]
_cell_length_b [8.4052]
_cell_length_c [8.4734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La5(AsPb)2]
_chemical_formula_sum '[La20 As8 Pb8]'
_cell_volume [1147.1233]
_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  16  0.1282  0.1640  0.3382  1
  La  La1  4  0.0000  0.0000  0.0000  1
  As  As2  8  0.0000  0.1449  0.6459  1
  Pb  Pb3  8  0.2060  0.0000  0.0000  1
]