data_[Nd16Ge4Ir4]
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 [9.0619]
_cell_length_b [13.7958]
_cell_length_c [6.2519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4GeIr]
_chemical_formula_sum '[Nd16 Ge4 Ir4]'
_cell_volume [681.4229]
_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  0.1213  0.8176  0.5858  1.0
  Nd  Nd1  8  0.2083  0.5648  0.8026  1.0
  Ge  Ge2  4  0.0000  0.3714  0.7500  1.0
  Ir  Ir3  4  0.0000  0.0000  0.2500  1.0
]