data_[Sr2In16Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [9.5909]
_cell_length_b [9.5909]
_cell_length_c [5.8677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sr(In2Ir)4]
_chemical_formula_sum '[Sr2 In16 Ir8]'
_cell_volume [539.7352]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  In  In1  8  0.0000  0.2223  0.5000  1.0
  In  In2  8  0.0000  0.3378  0.0000  1.0
  Ir  Ir3  8  0.2500  0.2500  0.2500  1.0
]