data_[Nd2In10Ni2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2574]
_cell_length_b [8.0700]
_cell_length_c [10.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NdIn5NiIr]
_chemical_formula_sum '[Nd2 In10 Ni2 Ir2]'
_cell_volume [357.3350]
_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  0.5000  0.0095  1
  In  In1  4  0.0000  0.2987  0.3441  1
  In  In2  4  0.0000  0.3104  0.6533  1
  In  In3  2  0.0000  0.0000  0.0023  1
  Ni  Ni4  2  0.0000  0.0000  0.2485  1
  Ir  Ir5  2  0.0000  0.0000  0.7449  1
]