data_[Sn8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [10.8458]
_cell_length_b [10.8458]
_cell_length_c [4.2358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [SnIr]
_chemical_formula_sum '[Sn8 Ir8]'
_cell_volume [498.2583]
_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
[
  Sn  Sn0  4  0.0447  0.6683  0.0000  1
  Sn  Sn1  4  0.2586  0.3223  0.5000  1
  Ir  Ir2  4  0.1632  0.5695  0.5000  1
  Ir  Ir3  4  0.1685  0.4383  0.0000  1
]