data_Nb2InBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   5.09
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   100.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InBi
_chemical_formula_sum   'Nb2 In1 Bi1'
_cell_volume   91.26
_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  Nb2  1  0.1  0.55  0.01  1.0
  Nb  Nb3  1  0.07  0.0  0.43  1.0
  In  In1  1  0.96  0.0  0.33  1.0
  Bi  Bi0  1  0.01  0.55  0.88  1.0

data_Nb2InBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.09
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   100.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2InBi
_chemical_formula_sum   'Nb2 In1 Bi1'
_cell_volume   91.26
_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  0.07  0.0  0.43  1.0
  Nb  Nb1  1  0.1  0.55  0.01  1.0
  In  In2  1  0.96  0.0  0.33  1.0
  Bi  Bi3  1  0.01  0.55  0.88  1.0

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