data_[Nd13Ir2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7939]
_cell_length_b [8.3793]
_cell_length_c [9.5882]
_cell_angle_alpha [65.9780]
_cell_angle_beta [85.0258]
_cell_angle_gamma [81.2249]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd13Ir2]
_chemical_formula_sum '[Nd13 Ir2]'
_cell_volume [492.5434]
_cell_formula_units_Z [1]
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  0.0129  0.1869  0.3336  1.0
  Nd  Nd1  2  0.1685  0.6476  0.3683  1.0
  Nd  Nd2  2  0.2342  0.5554  0.0393  1.0
  Nd  Nd3  2  0.2986  0.3645  0.7697  1.0
  Nd  Nd4  2  0.4739  0.0797  0.1491  1.0
  Nd  Nd5  2  0.4928  0.2245  0.4499  1.0
  Nd  Nd6  1  0.0000  0.0000  0.0000  1.0
  Ir  Ir7  2  0.1792  0.0974  0.6748  1.0
]