data_[Sr1Li2Ir1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2689]
_cell_length_b [6.8641]
_cell_length_c [8.2455]
_cell_angle_alpha [66.8485]
_cell_angle_beta [87.7491]
_cell_angle_gamma [80.3419]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrLi2IrCl8]
_chemical_formula_sum '[Sr1 Li2 Ir1 Cl8]'
_cell_volume [321.4686]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  2  0.4654  0.3394  0.6897  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.0952  0.2403  0.7190  1.0
  Cl  Cl4  2  0.1331  0.2052  0.1303  1.0
  Cl  Cl5  2  0.3399  0.7903  0.0302  1.0
  Cl  Cl6  2  0.4108  0.7193  0.5626  1.0
]