data_[Li1Ag1I2Br6]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1638]
_cell_length_b [7.9769]
_cell_length_c [8.6162]
_cell_angle_alpha [104.6785]
_cell_angle_beta [107.4416]
_cell_angle_gamma [103.1590]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiAg(IBr3)2]
_chemical_formula_sum '[Li1 Ag1 I2 Br6]'
_cell_volume [369.2072]
_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  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  1  0.0000  0.0000  0.0000  1.0
  I  I2  2  0.3680  0.7678  0.6412  1.0
  Br  Br3  2  0.1047  0.1923  0.8234  1.0
  Br  Br4  2  0.1376  0.7359  0.8682  1.0
  Br  Br5  2  0.4329  0.2516  0.5926  1.0
]