data_[Ni24Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.6796]
_cell_length_b [12.6115]
_cell_length_c [4.5775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ni3Ir2]
_chemical_formula_sum '[Ni24 Ir16]'
_cell_volume [501.0623]
_cell_formula_units_Z [8]
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
[
  Ni  Ni0  16  0.0277  0.0969  0.4056  1
  Ni  Ni1  8  0.0000  0.0000  0.9264  1
  Ir  Ir2  16  0.0180  0.2012  0.8812  1
]