data_[La12Ge24Pd80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.6332]
_cell_length_b [12.6332]
_cell_length_c [12.6332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [La3(Ge3Pd10)2]
_chemical_formula_sum '[La12 Ge24 Pd80]'
_cell_volume [2016.2248]
_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  0.2500  0.2500  0.2500  1
  La  La1  4  0.0000  0.0000  0.0000  1
  Ge  Ge2  24  0.0000  0.0000  0.2683  1
  Pd  Pd3  48  0.0000  0.1743  0.1743  1
  Pd  Pd4  32  0.1166  0.3834  0.1166  1
]