data_[Nd2Gd4Ni2Ge6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Gd  1.2000  1.8000  1.0750
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.9365]
_cell_length_b [12.4076]
_cell_length_c [7.1076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NdGd2NiGe3Ir2]
_chemical_formula_sum '[Nd2 Gd4 Ni2 Ge6 Ir4]'
_cell_volume [347.1550]
_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  2  0.0000  0.0000  0.5923  1
  Gd  Gd1  4  0.0000  0.2028  0.2023  1
  Ni  Ni2  2  0.0000  0.0000  0.0043  1
  Ge  Ge3  4  0.5000  0.1242  0.8783  1
  Ge  Ge4  2  0.5000  0.0000  0.2440  1
  Ir  Ir5  4  0.5000  0.1703  0.4990  1
]