data_Mo3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   14.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo3W
_chemical_formula_sum   'Mo18 W6'
_cell_volume   389.61
_cell_formula_units_Z   6
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  0.17  0.41  0.88  1.0
  Mo  Mo1  1  0.61  0.41  0.63  1.0
  Mo  Mo2  1  0.0  0.61  0.3  1.0
  Mo  Mo3  1  0.0  0.61  0.46  1.0
  Mo  Mo4  1  0.61  0.02  0.3  1.0
  Mo  Mo5  1  0.61  0.02  0.46  1.0
  Mo  Mo6  1  0.39  0.8  0.2  1.0
  Mo  Mo7  1  0.39  0.8  0.05  1.0
  Mo  Mo8  1  0.78  0.01  0.88  1.0
  Mo  Mo9  1  0.0  0.82  0.63  1.0
  Mo  Mo10  1  0.4  0.41  0.88  1.0
  Mo  Mo11  1  0.39  0.41  0.63  1.0
  Mo  Mo12  1  0.39  0.02  0.3  1.0
  Mo  Mo13  1  0.39  0.02  0.46  1.0
  Mo  Mo14  1  0.18  0.8  0.2  1.0
  Mo  Mo15  1  0.18  0.8  0.05  1.0
  Mo  Mo16  1  0.78  0.22  0.2  1.0
  Mo  Mo17  1  0.78  0.22  0.05  1.0
  W  W18  1  0.0  0.0  0.88  1.0
  W  W19  1  0.0  0.0  0.63  1.0
  W  W20  1  0.0  0.22  0.19  1.0
  W  W21  1  0.0  0.22  0.06  1.0
  W  W22  1  0.78  0.61  0.32  1.0
  W  W23  1  0.78  0.61  0.44  1.0

data_Mo3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   14.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo3W
_chemical_formula_sum   'Mo18 W6'
_cell_volume   389.61
_cell_formula_units_Z   6
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  0.0  0.61  0.3  1.0
  Mo  Mo1  1  0.0  0.61  0.46  1.0
  Mo  Mo2  1  0.0  0.82  0.63  1.0
  Mo  Mo3  1  0.17  0.41  0.88  1.0
  Mo  Mo4  1  0.18  0.8  0.05  1.0
  Mo  Mo5  1  0.18  0.8  0.2  1.0
  Mo  Mo6  1  0.39  0.41  0.63  1.0
  Mo  Mo7  1  0.39  0.8  0.05  1.0
  Mo  Mo8  1  0.39  0.8  0.2  1.0
  Mo  Mo9  1  0.39  0.02  0.3  1.0
  Mo  Mo10  1  0.39  0.02  0.46  1.0
  Mo  Mo11  1  0.4  0.41  0.88  1.0
  Mo  Mo12  1  0.61  0.02  0.3  1.0
  Mo  Mo13  1  0.61  0.02  0.46  1.0
  Mo  Mo14  1  0.61  0.41  0.63  1.0
  Mo  Mo15  1  0.78  0.01  0.88  1.0
  Mo  Mo16  1  0.78  0.22  0.05  1.0
  Mo  Mo17  1  0.78  0.22  0.2  1.0
  W  W18  1  0.0  0.0  0.63  1.0
  W  W19  1  0.0  0.0  0.88  1.0
  W  W20  1  0.0  0.22  0.06  1.0
  W  W21  1  0.0  0.22  0.19  1.0
  W  W22  1  0.78  0.61  0.32  1.0
  W  W23  1  0.78  0.61  0.44  1.0

Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo W W W W W W