data_[La8Si16Pd8]
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 [Immm]
_cell_length_a [4.4378]
_cell_length_b [8.7082]
_cell_length_c [16.3803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [LaSi2Pd]
_chemical_formula_sum '[La8 Si16 Pd8]'
_cell_volume [633.0267]
_cell_formula_units_Z [8]
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  0.2534  0.0000  1
  La  La1  4  0.0000  0.5000  0.2043  1
  Si  Si2  8  0.0000  0.1445  0.8072  1
  Si  Si3  4  0.0000  0.0000  0.4280  1
  Si  Si4  4  0.0000  0.5000  0.4263  1
  Pd  Pd5  8  0.0000  0.2548  0.3507  1
]