data_Mo2WAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2WAu
_chemical_formula_sum   'Mo2 W1 Au1'
_cell_volume   65.32
_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
  Mo  Mo1  1  0.42  0.98  0.42  1.0
  Mo  Mo2  1  0.42  0.02  0.42  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.84  0.0  0.0  1.0

data_Mo2WAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   109.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2WAu
_chemical_formula_sum   'Mo2 W1 Au1'
_cell_volume   65.32
_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
  Mo  Mo0  1  0.42  0.42  0.02  1.0
  Mo  Mo1  1  0.42  0.42  0.98  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.84  0.0  1.0

Mo Mo W Au
Mo Mo W Au 0 1 o + o 2 3 - o o 