data_[Sr8Li24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8739]
_cell_length_b [10.4848]
_cell_length_c [6.2364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrLi3Ir]
_chemical_formula_sum '[Sr8 Li24 Ir8]'
_cell_volume [882.0574]
_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
[
  Sr  Sr0  4  0.0000  0.0874  0.2500  1.0
  Sr  Sr1  4  0.0000  0.3713  0.7500  1.0
  Li  Li2  8  0.1841  0.1794  0.0811  1.0
  Li  Li3  8  0.1910  0.4981  0.5943  1.0
  Li  Li4  8  0.1961  0.1827  0.5931  1.0
  Ir  Ir5  8  0.0940  0.3407  0.2878  1.0
]