data_[Li2Si2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8383]
_cell_length_b [11.8517]
_cell_length_c [7.2566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSiBr6]
_chemical_formula_sum '[Li2 Si2 Br12]'
_cell_volume [585.8177]
_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  2  0.0000  0.0000  0.0000  1
  Si  Si1  2  0.0000  0.0000  0.5000  1
  Br  Br2  8  0.0144  0.1453  0.7423  1
  Br  Br3  4  0.1519  0.5000  0.3327  1
]