data_[La8Sn12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5952]
_cell_length_b [26.1132]
_cell_length_c [7.2177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2Sn3Pd5]
_chemical_formula_sum '[La8 Sn12 Pd20]'
_cell_volume [866.0830]
_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  4  0.0000  0.1795  0.2603  1
  La  La1  4  0.0000  0.4794  0.2169  1
  Sn  Sn2  4  0.0000  0.0566  0.4063  1
  Sn  Sn3  4  0.0000  0.2175  0.7428  1
  Sn  Sn4  4  0.0000  0.3925  0.5401  1
  Pd  Pd5  4  0.0000  0.0467  0.0241  1
  Pd  Pd6  4  0.0000  0.1152  0.7256  1
  Pd  Pd7  4  0.0000  0.2815  0.0396  1
  Pd  Pd8  4  0.0000  0.2900  0.4583  1
  Pd  Pd9  4  0.0000  0.3890  0.9508  1
]