data_[Nd16In4Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2819]
_cell_length_b [5.3061]
_cell_length_c [6.9475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8In2Ir]
_chemical_formula_sum '[Nd16 In4 Ir2]'
_cell_volume [681.2982]
_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  4  0.0159  0.0000  0.7840  1.0
  Nd  Nd1  4  0.0892  0.5000  0.4380  1.0
  Nd  Nd2  4  0.1472  0.5000  0.9697  1.0
  Nd  Nd3  4  0.2122  0.0000  0.3006  1.0
  In  In4  4  0.1810  0.0000  0.7350  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]