data_[Ce4Nd4Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7551]
_cell_length_b [4.3623]
_cell_length_c [5.8697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Nd2Ir3]
_chemical_formula_sum '[Ce4 Nd4 Ir6]'
_cell_volume [370.0134]
_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
[
  Ce  Ce0  4  0.1667  0.0000  0.3168  1.0
  Nd  Nd1  4  0.0911  0.5000  0.8053  1.0
  Ir  Ir2  4  0.2318  0.0000  0.8113  1.0
  Ir  Ir3  2  0.0000  0.0000  0.0000  1.0
]