data_[Sr8Li4Ir8]
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 [8.9770]
_cell_length_b [5.9821]
_cell_length_c [8.8371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr2LiIr2]
_chemical_formula_sum '[Sr8 Li4 Ir8]'
_cell_volume [464.9789]
_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  0.1535  0.3694  0.1526  1.0
  Li  Li1  4  0.0000  0.0923  0.7500  1.0
  Ir  Ir2  8  0.1295  0.1267  0.5082  1.0
]