data_[La12Si4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5328]
_cell_length_b [13.2620]
_cell_length_c [7.7286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [La3SiPd5]
_chemical_formula_sum '[La12 Si4 Pd20]'
_cell_volume [772.0896]
_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  0.0000  0.0498  0.2293  1.0
  La  La1  4  0.0000  0.2500  0.8642  1.0
  Si  Si2  4  0.0000  0.2500  0.4618  1.0
  Pd  Pd3  16  0.1987  0.6079  0.4375  1.0
  Pd  Pd4  4  0.2500  0.2500  0.2500  1.0
]