data_[Li2Ir1Pb1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8019]
_cell_length_b [5.0145]
_cell_length_c [7.2109]
_cell_angle_alpha [83.0717]
_cell_angle_beta [84.2229]
_cell_angle_gamma [82.9500]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2IrPbF8]
_chemical_formula_sum '[Li2 Ir1 Pb1 F8]'
_cell_volume [170.4107]
_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
[
  Li  Li0  2  0.4633  0.4581  0.7100  1.0
  Ir  Ir1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  F  F3  2  0.1908  0.7770  0.2087  1.0
  F  F4  2  0.2021  0.7833  0.8045  1.0
  F  F5  2  0.2824  0.2492  0.9570  1.0
  F  F6  2  0.3518  0.3065  0.4971  1.0
]