data_[Li6In2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9907]
_cell_length_b [7.0210]
_cell_length_c [12.6925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li3InBr6]
_chemical_formula_sum '[Li6 In2 Br12]'
_cell_volume [522.0081]
_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  4  0.2864  0.0293  0.7710  1.0
  Li  Li1  2  0.5000  0.0000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0709  0.1787  0.4113  1.0
  Br  Br4  4  0.2766  0.6804  0.4412  1.0
  Br  Br5  4  0.3676  0.1005  0.2352  1.0
]