data_NbCuBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   147.22
_cell_angle_beta   141.14
_cell_angle_gamma   51.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuBi
_chemical_formula_sum   'Nb1 Cu1 Bi1'
_cell_volume   57.51
_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  0.0  0.0  0.12  1.0
  Cu  Cu1  1  0.0  0.0  0.79  1.0
  Bi  Bi0  1  0.0  0.0  0.07  1.0

data_NbCuBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.69
_cell_length_c   5.54
_cell_angle_alpha   109.43
_cell_angle_beta   106.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuBi
_chemical_formula_sum   'Nb1 Cu1 Bi1'
_cell_volume   57.51
_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  0.12  0.12  1.0
  Cu  Cu1  1  0.0  0.79  0.79  1.0
  Bi  Bi2  1  0.0  0.07  0.07  1.0

Nb Cu Bi