data_NbCuBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   144.04
_cell_angle_beta   133.65
_cell_angle_gamma   60.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuBi2
_chemical_formula_sum   'Nb1 Cu1 Bi2'
_cell_volume   89.46
_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  0.35  0.47  1.0
  Cu  Cu2  1  0.0  0.0  0.2  1.0
  Bi  Bi0  1  0.0  0.0  0.25  1.0
  Bi  Bi1  1  0.84  0.0  0.76  1.0

data_NbCuBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.7
_cell_length_c   5.97
_cell_angle_alpha   113.17
_cell_angle_beta   107.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCuBi2
_chemical_formula_sum   'Nb1 Cu1 Bi2'
_cell_volume   89.46
_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  0.65  0.12  0.12  1.0
  Cu  Cu1  1  0.0  0.2  0.2  1.0
  Bi  Bi2  1  0.0  0.25  0.25  1.0
  Bi  Bi3  1  0.0  0.76  0.92  1.0

Nb Cu Bi Bi