data_[Nd6In6Ir4]
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 [16.8043]
_cell_length_b [4.6740]
_cell_length_c [5.3632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3In3Ir2]
_chemical_formula_sum '[Nd6 In6 Ir4]'
_cell_volume [412.9687]
_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  0.1687  0.0000  0.5879  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.1344  0.5000  0.0734  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Ir  Ir4  4  0.2176  0.0000  0.1167  1.0
]