data_[Li12In4Br24]
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 [C2/c]
_cell_length_a [6.8890]
_cell_length_b [11.8241]
_cell_length_c [13.4028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3InBr6]
_chemical_formula_sum '[Li12 In4 Br24]'
_cell_volume [1068.0590]
_cell_formula_units_Z [4]
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  0.2287  0.4221  0.4973  1.0
  Li  Li1  4  0.0000  0.3884  0.7500  1.0
  In  In2  4  0.2500  0.2500  0.0000  1.0
  Br  Br3  8  0.1232  0.2535  0.6160  1.0
  Br  Br4  8  0.1361  0.4151  0.1187  1.0
  Br  Br5  8  0.1483  0.0846  0.1197  1.0
]