data_NbSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   138.27
_cell_angle_beta   137.66
_cell_angle_gamma   60.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2Au
_chemical_formula_sum   'Nb1 Sn2 Au1'
_cell_volume   81.33
_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  0.53  1.0
  Sn  Sn2  1  0.0  0.05  0.87  1.0
  Sn  Sn3  1  0.0  0.0  0.27  1.0
  Au  Au0  1  0.0  0.05  0.02  1.0

data_NbSn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.1
_cell_length_c   5.68
_cell_angle_alpha   111.17
_cell_angle_beta   110.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2Au
_chemical_formula_sum   'Nb1 Sn2 Au1'
_cell_volume   81.33
_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  0.53  0.53  1.0
  Sn  Sn1  1  0.0  0.27  0.27  1.0
  Sn  Sn2  1  0.95  0.82  0.82  1.0
  Au  Au3  1  0.95  0.97  0.97  1.0

Nb Sn Sn Au