data_Mo2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   7.65
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Au
_chemical_formula_sum   'Mo4 Au2'
_cell_volume   94.84
_cell_formula_units_Z   2
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  Mo2  1  0.59  0.47  0.0  1.0
  Mo  Mo3  1  0.89  0.3  0.09  1.0
  Mo  Mo4  1  0.07  0.35  0.09  1.0
  Mo  Mo5  1  0.37  0.18  0.0  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.48  0.82  0.09  1.0

data_Mo2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.19
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2Au
_chemical_formula_sum   'Mo4 Au2'
_cell_volume   94.84
_cell_formula_units_Z   2
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  0.11  0.91  0.7  1.0
  Mo  Mo1  1  0.41  0.0  0.53  1.0
  Mo  Mo2  1  0.63  0.0  0.82  1.0
  Mo  Mo3  1  0.93  0.91  0.65  1.0
  Au  Au4  1  0.0  0.0  0.0  1.0
  Au  Au5  1  0.52  0.91  0.18  1.0

Mo Mo Mo Mo Au Au