data_NbW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   141.62
_cell_angle_beta   129.51
_cell_angle_gamma   65.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbW2Au
_chemical_formula_sum   'Nb1 W2 Au1'
_cell_volume   68.14
_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  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.24  0.3  1.0
  W  W3  1  0.72  0.0  0.12  1.0
  Au  Au0  1  0.0  0.0  0.42  1.0

data_NbW2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.47
_cell_length_c   5.24
_cell_angle_alpha   115.25
_cell_angle_beta   109.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbW2Au
_chemical_formula_sum   'Nb1 W2 Au1'
_cell_volume   68.14
_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
  W  W1  1  0.0  0.12  0.39  1.0
  W  W2  1  0.76  0.07  0.07  1.0
  Au  Au3  1  0.0  0.42  0.42  1.0

Nb W W Au