data_[Li10S2I4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5756]
_cell_length_b [6.8349]
_cell_length_c [14.0766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li5SI2Br]
_chemical_formula_sum '[Li10 S2 I4 Br2]'
_cell_volume [440.2313]
_cell_formula_units_Z [2]
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  8  0.0000  0.2592  0.3790  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  S  S2  2  0.0000  0.5000  0.5000  1
  I  I3  4  0.0000  0.0000  0.2263  1
  Br  Br4  2  0.0000  0.5000  0.0000  1
]