data_NbMoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.67
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   93.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMoAu2
_chemical_formula_sum   'Nb1 Mo1 Au2'
_cell_volume   68.88
_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  0.6  0.0  0.06  1.0
  Mo  Mo2  1  0.1  0.34  0.54  1.0
  Au  Au0  1  0.13  0.34  0.19  1.0
  Au  Au1  1  0.35  0.0  0.44  1.0

data_NbMoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.67
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   93.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMoAu2
_chemical_formula_sum   'Nb1 Mo1 Au2'
_cell_volume   68.88
_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  0.6  0.0  0.06  1.0
  Mo  Mo1  1  0.1  0.34  0.54  1.0
  Au  Au2  1  0.13  0.34  0.19  1.0
  Au  Au3  1  0.35  0.0  0.44  1.0

Nb Mo Au Au