data_[Nd8Ge4Ir8]
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/c]
_cell_length_a [9.9501]
_cell_length_b [5.6800]
_cell_length_c [7.8832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2GeIr2]
_chemical_formula_sum '[Nd8 Ge4 Ir8]'
_cell_volume [434.2180]
_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  8  0.1472  0.1439  0.6487  1.0
  Ge  Ge1  4  0.0000  0.3659  0.2500  1.0
  Ir  Ir2  8  0.1344  0.3681  0.9985  1.0
]