data_[La24Ge8Pd8]
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 [Cmce]
_cell_length_a [10.9184]
_cell_length_b [12.0075]
_cell_length_c [8.7099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La3GePd]
_chemical_formula_sum '[La24 Ge8 Pd8]'
_cell_volume [1141.8918]
_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  16  0.1709  0.1438  0.4267  1.0
  La  La1  8  0.0000  0.0744  0.8274  1.0
  Ge  Ge2  8  0.0000  0.2011  0.1376  1.0
  Pd  Pd3  8  0.2500  0.1126  0.7500  1.0
]