data_Nb2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   146.48
_cell_angle_beta   131.86
_cell_angle_gamma   59.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2In
_chemical_formula_sum   'Nb2 In1'
_cell_volume   64.95
_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
  Nb  Nb1  1  0.0  0.0  0.13  1.0
  Nb  Nb2  1  0.0  0.0  0.26  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Nb2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.42
_cell_length_c   5.42
_cell_angle_alpha   114.07
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2In
_chemical_formula_sum   'Nb2 In1'
_cell_volume   64.95
_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
  Nb  Nb0  1  0.74  0.74  0.74  1.0
  Nb  Nb1  1  0.87  0.87  0.87  1.0
  In  In2  1  0.0  0.0  0.0  1.0

Nb Nb In
Nb Nb In 0 2 o o o 0 1 o o o 