data_NbIn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIn2Bi
_chemical_formula_sum   'Nb1 In2 Bi1'
_cell_volume   96.25
_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  Nb3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.03  0.0  0.5  1.0
  In  In2  1  0.03  0.0  0.09  1.0
  Bi  Bi0  1  0.0  0.0  0.8  1.0

data_NbIn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIn2Bi
_chemical_formula_sum   'Nb1 In2 Bi1'
_cell_volume   96.25
_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
  In  In1  1  0.03  0.0  0.09  1.0
  In  In2  1  0.03  0.0  0.5  1.0
  Bi  Bi3  1  0.0  0.0  0.8  1.0

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