data_Nb2WAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.19
_cell_angle_alpha   96.84
_cell_angle_beta   96.84
_cell_angle_gamma   31.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2WAu
_chemical_formula_sum   'Nb2 W1 Au1'
_cell_volume   70.02
_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  0.04  0.0  0.1  1.0
  Nb  Nb2  1  0.17  0.0  0.35  1.0
  W  W3  1  0.63  0.0  0.53  1.0
  Au  Au0  1  0.93  0.0  0.89  1.0

data_Nb2WAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.07
_cell_length_c   5.19
_cell_angle_alpha   96.84
_cell_angle_beta   90.0
_cell_angle_gamma   105.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2WAu
_chemical_formula_sum   'Nb2 W1 Au1'
_cell_volume   70.02
_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  0.83  0.65  1.0
  Nb  Nb1  1  0.0  0.96  0.9  1.0
  W  W2  1  0.0  0.37  0.47  1.0
  Au  Au3  1  0.0  0.07  0.11  1.0

Nb Nb W Au