data_[Nd12Ge4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3170]
_cell_length_b [4.2973]
_cell_length_c [8.4089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3GePd]
_chemical_formula_sum '[Nd12 Ge4 Pd4]'
_cell_volume [553.4733]
_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
[
  Nd  Nd0  4  0.0438  0.0000  0.1770  1
  Nd  Nd1  4  0.1021  0.5000  0.5628  1
  Nd  Nd2  4  0.2433  0.0000  0.8104  1
  Ge  Ge3  4  0.1106  0.5000  0.9324  1
  Pd  Pd4  4  0.2023  0.0000  0.4227  1
]