data_Nb3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3In
_chemical_formula_sum   'Nb3 In1'
_cell_volume   81.75
_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  0.53  0.83  0.53  1.0
  Nb  Nb2  1  0.53  0.17  0.53  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.06  0.0  0.0  1.0

data_Nb3In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   109.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3In
_chemical_formula_sum   'Nb3 In1'
_cell_volume   81.75
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.53  0.53  0.17  1.0
  Nb  Nb2  1  0.53  0.53  0.83  1.0
  In  In3  1  0.0  0.06  0.0  1.0

Nb Nb Nb In