data_[Li3Ag6Ir3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9109]
_cell_length_b [6.9109]
_cell_length_c [19.8613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiAg2IrBr6]
_chemical_formula_sum '[Li3 Ag6 Ir3 Br18]'
_cell_volume [821.5102]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6881  1.0
  Ag  Ag1  3  0.0000  0.0000  0.0199  1.0
  Ag  Ag2  3  0.0000  0.0000  0.5292  1.0
  Ir  Ir3  3  0.0000  0.0000  0.3452  1.0
  Br  Br4  9  0.0133  0.7134  0.4207  1.0
  Br  Br5  9  0.0319  0.3644  0.9401  1.0
]