data_[Li2In6Br8]
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 [Pmn2_1]
_cell_length_a [9.1669]
_cell_length_b [9.9481]
_cell_length_c [6.4855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiIn3Br4]
_chemical_formula_sum '[Li2 In6 Br8]'
_cell_volume [591.4304]
_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  0.7857  0.0007  1.0
  In  In1  4  0.1927  0.3478  0.9293  1.0
  In  In2  2  0.0000  0.0898  0.4376  1.0
  Br  Br3  4  0.2492  0.6685  0.9193  1.0
  Br  Br4  2  0.0000  0.0410  0.9480  1.0
  Br  Br5  2  0.0000  0.7606  0.4013  1.0
]