data_[Na8Sn16Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.9391]
_cell_length_b [7.6482]
_cell_length_c [5.8260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaSn2Ir]
_chemical_formula_sum '[Na8 Sn16 Ir8]'
_cell_volume [710.2213]
_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
[
  Na  Na0  4  0.1065  0.2500  0.7355  1
  Na  Na1  4  0.1395  0.7500  0.5200  1
  Sn  Sn2  8  0.0360  0.0475  0.2504  1
  Sn  Sn3  8  0.2111  0.5452  0.0037  1
  Ir  Ir4  4  0.0722  0.7500  0.0095  1
  Ir  Ir5  4  0.1801  0.2500  0.2535  1
]