data_Nb3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   5.9
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Bi
_chemical_formula_sum   'Nb3 Bi1'
_cell_volume   146.02
_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  0.95  0.84  1.0
  Nb  Nb2  1  0.0  0.0  0.25  1.0
  Nb  Nb3  1  0.46  0.0  0.25  1.0
  Bi  Bi0  1  0.46  0.95  0.32  1.0

data_Nb3Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.9
_cell_length_c   8.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Bi
_chemical_formula_sum   'Nb3 Bi1'
_cell_volume   146.02
_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  0.25  1.0
  Nb  Nb1  1  0.0  0.95  0.84  1.0
  Nb  Nb2  1  0.46  0.0  0.25  1.0
  Bi  Bi3  1  0.46  0.95  0.32  1.0

Nb Nb Nb Bi