data_[Nd12Ge4Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2066]
_cell_length_b [4.3612]
_cell_length_c [8.4374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3GeIr]
_chemical_formula_sum '[Nd12 Ge4 Ir4]'
_cell_volume [559.5555]
_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  0.0502  0.0000  0.1713  1
  Nd  Nd1  4  0.1136  0.5000  0.5593  1
  Nd  Nd2  4  0.2459  0.0000  0.8040  1
  Ge  Ge3  4  0.1090  0.5000  0.9294  1
  Ir  Ir4  4  0.1931  0.0000  0.4061  1
]