data_Li2NbIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbIn
_chemical_formula_sum   'Li2 Nb1 In1'
_cell_volume   74.92
_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  Li1  1  0.45  0.65  0.37  1.0
  Li  Li2  1  0.45  0.35  0.37  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.9  0.0  0.0  1.0

data_Li2NbIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   116.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbIn
_chemical_formula_sum   'Li2 Nb1 In1'
_cell_volume   74.92
_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  0.37  0.45  0.35  1.0
  Li  Li1  1  0.37  0.45  0.65  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  In  In3  1  -0.0  0.9  0.0  1.0

Li Li Nb In
Li Li Nb In 0 1 o o o 2 3 - o o 