data_[La8In20Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.9591]
_cell_length_b [9.9071]
_cell_length_c [17.4637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La2In5Pd4]
_chemical_formula_sum '[La8 In20 Pd16]'
_cell_volume [1031.0107]
_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  0.0000  0.1263  1.0
  In  In1  8  0.2500  0.2500  0.0000  1.0
  In  In2  8  0.2500  0.2500  0.2500  1.0
  In  In3  4  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  16  0.0000  0.1542  0.3687  1.0
]