data_[Nd4Si2Ge2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.5727]
_cell_length_b [8.7668]
_cell_length_c [8.1468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nd2SiGePd6]
_chemical_formula_sum '[Nd4 Si2 Ge2 Pd12]'
_cell_volume [398.0123]
_cell_formula_units_Z [2]
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
[
  Nd  Nd0  4  0.0000  0.2469  0.2678  1.0
  Si  Si1  2  0.0000  0.0000  0.7525  1.0
  Ge  Ge2  2  0.0000  0.5000  0.7345  1.0
  Pd  Pd3  4  0.0000  0.2489  0.8859  1.0
  Pd  Pd4  4  0.2482  0.0000  0.5148  1.0
  Pd  Pd5  4  0.2494  0.5000  0.0005  1.0
]