data_[Sr16Ir4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6494]
_cell_length_b [17.0950]
_cell_length_c [7.6491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr4IrI]
_chemical_formula_sum '[Sr16 Ir4 I4]'
_cell_volume [1066.4426]
_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  8  0.1915  0.0578  0.2061  1.0
  Sr  Sr1  8  0.2083  0.1887  0.7316  1.0
  Ir  Ir2  4  0.0000  0.0724  0.7500  1.0
  I  I3  4  0.0000  0.4389  0.2500  1.0
]