data_[Nd12Cu2Ir4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1649]
_cell_length_b [12.4104]
_cell_length_c [7.8911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6CuIr2Cl3]
_chemical_formula_sum '[Nd12 Cu2 Ir4 Cl6]'
_cell_volume [668.7243]
_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  8  0.2404  0.1714  0.2070  1
  Nd  Nd1  4  0.2262  0.5000  0.2076  1
  Cu  Cu2  2  0.0000  0.0000  0.0000  1
  Ir  Ir3  4  0.0000  0.3335  0.0000  1
  Cl  Cl4  4  0.0000  0.1687  0.5000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]