data_[La8In12Pd20]
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 [Ibam]
_cell_length_a [10.9735]
_cell_length_b [13.7611]
_cell_length_c [5.9364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La2In3Pd5]
_chemical_formula_sum '[La8 In12 Pd20]'
_cell_volume [896.4439]
_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  0.2414  0.3735  0.0000  1.0
  In  In1  8  0.0818  0.3488  0.5000  1.0
  In  In2  4  0.0000  0.0000  0.2500  1.0
  Pd  Pd3  8  0.0000  0.1977  0.2500  1.0
  Pd  Pd4  8  0.1821  0.1009  0.0000  1.0
  Pd  Pd5  4  0.0000  0.5000  0.2500  1.0
]