data_[Nd6Ag2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8181]
_cell_length_b [6.8344]
_cell_length_c [8.3541]
_cell_angle_alpha [100.8082]
_cell_angle_beta [101.6445]
_cell_angle_gamma [114.0375]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd3AgIr]
_chemical_formula_sum '[Nd6 Ag2 Ir2]'
_cell_volume [283.3015]
_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  0.1751  0.0448  0.2401  1.0
  Nd  Nd1  2  0.1941  0.6644  0.8737  1.0
  Nd  Nd2  2  0.4428  0.2993  0.6849  1.0
  Ag  Ag3  2  0.1323  0.7400  0.5076  1.0
  Ir  Ir4  2  0.2617  0.3226  0.0174  1.0
]