data_[Nd6Ir2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9596]
_cell_length_b [6.8515]
_cell_length_c [7.5854]
_cell_angle_alpha [79.4187]
_cell_angle_beta [88.9794]
_cell_angle_gamma [66.0093]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd3IrPd]
_chemical_formula_sum '[Nd6 Ir2 Pd2]'
_cell_volume [277.6004]
_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  0.0962  0.0045  0.7633  1.0
  Nd  Nd1  2  0.2153  0.3241  0.3390  1.0
  Nd  Nd2  2  0.4443  0.3346  0.8509  1.0
  Ir  Ir3  2  0.0832  0.6598  0.0272  1.0
  Pd  Pd4  2  0.2922  0.6886  0.5121  1.0
]