data_[Nd6Ge8Ir8]
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 [Immm]
_cell_length_a [4.1420]
_cell_length_b [4.2493]
_cell_length_c [25.3071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3(GeIr)4]
_chemical_formula_sum '[Nd6 Ge8 Ir8]'
_cell_volume [445.4242]
_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  0.5000  0.1452  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  4  0.0000  0.0000  0.4515  1.0
  Ge  Ge3  4  0.0000  0.5000  0.3045  1.0
  Ir  Ir4  4  0.0000  0.0000  0.2505  1.0
  Ir  Ir5  4  0.0000  0.5000  0.4020  1.0
]