data_[Ba1Li2Ir1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Ir  2.2000  1.3500  0.7650
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6687]
_cell_length_b [5.6367]
_cell_length_c [7.4907]
_cell_angle_alpha [109.7096]
_cell_angle_beta [94.1901]
_cell_angle_gamma [92.1955]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaLi2IrF8]
_chemical_formula_sum '[Ba1 Li2 Ir1 F8]'
_cell_volume [184.6653]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.5000  1.0
  Li  Li1  2  0.4934  0.0706  0.6855  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1147  0.0021  0.7454  1.0
  F  F4  2  0.1738  0.3380  0.1449  1.0
  F  F5  2  0.3324  0.8389  0.0654  1.0
  F  F6  2  0.4781  0.2446  0.5154  1.0
]