data_[Ce6Nd4Ir4]
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 [11.9787]
_cell_length_b [3.9034]
_cell_length_c [8.7948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3(NdIr)2]
_chemical_formula_sum '[Ce6 Nd4 Ir4]'
_cell_volume [373.7835]
_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  0.1190  0.5000  0.4487  1
  Ce  Ce1  2  0.0000  0.5000  0.0000  1
  Nd  Nd2  4  0.1593  0.0000  0.8086  1
  Ir  Ir3  4  0.1421  0.0000  0.2368  1
]