data_NbFe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.75
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   94.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Bi
_chemical_formula_sum   'Nb1 Fe2 Bi1'
_cell_volume   69.91
_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  0.72  0.0  0.73  1.0
  Fe  Fe1  1  0.11  0.0  0.36  1.0
  Fe  Fe2  1  0.4  0.87  0.42  1.0
  Bi  Bi0  1  0.19  0.87  0.69  1.0

data_NbFe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.75
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   94.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Bi
_chemical_formula_sum   'Nb1 Fe2 Bi1'
_cell_volume   69.91
_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  0.72  0.0  0.73  1.0
  Fe  Fe1  1  0.11  0.0  0.36  1.0
  Fe  Fe2  1  0.4  0.87  0.42  1.0
  Bi  Bi3  1  0.19  0.87  0.69  1.0

Nb Fe Fe Bi