data_[Nd16Ge4Ir2]
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 [19.2809]
_cell_length_b [4.8853]
_cell_length_c [6.9405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Ge2Ir]
_chemical_formula_sum '[Nd16 Ge4 Ir2]'
_cell_volume [637.2917]
_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  0.0207  0.0000  0.7841  1.0
  Nd  Nd1  4  0.0930  0.5000  0.4715  1.0
  Nd  Nd2  4  0.1539  0.5000  0.9989  1.0
  Nd  Nd3  4  0.2160  0.0000  0.3339  1.0
  Ge  Ge4  4  0.1825  0.0000  0.7537  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]