data_[Nd2Zn2Cu4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9661]
_cell_length_b [4.0184]
_cell_length_c [11.1758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NdZnCu2Ir]
_chemical_formula_sum '[Nd2 Zn2 Cu4 Ir2]'
_cell_volume [178.1113]
_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  0.4348  1.0
  Zn  Zn1  2  0.0000  0.5000  0.1896  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0586  1.0
  Cu  Cu3  2  0.0000  0.5000  0.6929  1.0
  Ir  Ir4  2  0.0000  0.0000  0.8362  1.0
]