data_[Sr8Sn8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7775]
_cell_length_b [4.7476]
_cell_length_c [11.5926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Sn2Ir]
_chemical_formula_sum '[Sr8 Sn8 Ir4]'
_cell_volume [578.9042]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0070  0.0000  0.6664  1
  Sr  Sr1  4  0.1883  0.0000  0.1133  1
  Sn  Sn2  4  0.0112  0.5000  0.8751  1
  Sn  Sn3  4  0.1805  0.5000  0.5598  1
  Ir  Ir4  4  0.2162  0.5000  0.3386  1
]