data_NbBi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   138.07
_cell_angle_beta   138.07
_cell_angle_gamma   60.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBi2Au
_chemical_formula_sum   'Nb1 Bi2 Au1'
_cell_volume   93.05
_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
  Bi  Bi1  1  0.0  0.0  0.13  1.0
  Bi  Bi2  1  0.0  0.13  0.57  1.0
  Au  Au0  1  0.13  0.0  0.57  1.0

data_NbBi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.95
_cell_angle_alpha   110.96
_cell_angle_beta   110.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBi2Au
_chemical_formula_sum   'Nb1 Bi2 Au1'
_cell_volume   93.05
_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
  Bi  Bi1  1  0.13  0.13  0.13  1.0
  Bi  Bi2  1  0.44  0.57  0.44  1.0
  Au  Au3  1  0.57  0.44  0.44  1.0

Nb Bi Bi Au