data_Li2InBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2InBr
_chemical_formula_sum   'Li2 In1 Br1'
_cell_volume   91.16
_cell_formula_units_Z   1
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  Li2  1  0.94  0.0  0.56  1.0
  Li  Li3  1  0.94  0.0  0.71  1.0
  In  In1  1  0.0  0.0  0.13  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Li2InBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2InBr
_chemical_formula_sum   'Li2 In1 Br1'
_cell_volume   91.16
_cell_formula_units_Z   1
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  1  0.94  0.0  0.56  1.0
  Li  Li1  1  0.94  0.0  0.71  1.0
  In  In2  1  0.0  0.0  0.13  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Li Li In Br
Li Li In Br 0 1 o o o 2 3 o o o 