data_[La8Si4Pd8]
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 [C2/c]
_cell_length_a [9.9373]
_cell_length_b [5.6999]
_cell_length_c [8.2432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2SiPd2]
_chemical_formula_sum '[La8 Si4 Pd8]'
_cell_volume [450.2663]
_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  0.1496  0.1380  0.1522  1.0
  Si  Si1  4  0.0000  0.3324  0.7500  1.0
  Pd  Pd2  8  0.1269  0.3775  0.4953  1.0
]