data_[La12Ge12Pd8]
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 [Cmcm]
_cell_length_a [4.4366]
_cell_length_b [11.1189]
_cell_length_c [15.7469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3Ge3Pd2]
_chemical_formula_sum '[La12 Ge12 Pd8]'
_cell_volume [776.7991]
_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  0.1318  0.5961  1.0
  La  La1  4  0.0000  0.4050  0.7500  1.0
  Ge  Ge2  8  0.0000  0.4100  0.5482  1.0
  Ge  Ge3  4  0.0000  0.3066  0.2500  1.0
  Pd  Pd4  8  0.0000  0.1585  0.1170  1.0
]