data_[Nd4Zn2Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9145]
_cell_length_b [4.4731]
_cell_length_c [7.9873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd2ZnIr]
_chemical_formula_sum '[Nd4 Zn2 Ir2]'
_cell_volume [196.3616]
_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  0.1869  0.7500  0.4195  1
  Nd  Nd1  2  0.2755  0.2500  0.0628  1
  Zn  Zn2  2  0.3664  0.2500  0.7136  1
  Ir  Ir3  2  0.1444  0.7500  0.7848  1
]