data_Mo3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   8.97
_cell_angle_alpha   108.44
_cell_angle_beta   108.44
_cell_angle_gamma   36.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo3W
_chemical_formula_sum   'Mo12 W4'
_cell_volume   254.96
_cell_formula_units_Z   4
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  0.25  0.0  0.87  1.0
  Mo  Mo1  1  0.24  0.0  0.92  1.0
  Mo  Mo2  1  0.49  0.0  0.29  1.0
  Mo  Mo3  1  0.75  0.0  0.64  1.0
  Mo  Mo4  1  0.46  0.0  0.45  1.0
  Mo  Mo5  1  0.48  0.0  0.34  1.0
  Mo  Mo6  1  0.73  0.0  0.7  1.0
  Mo  Mo7  1  0.99  0.0  0.05  1.0
  Mo  Mo8  1  0.47  0.0  0.4  1.0
  Mo  Mo9  1  0.73  0.0  0.76  1.0
  Mo  Mo10  1  0.71  0.0  0.81  1.0
  Mo  Mo11  1  0.97  0.0  0.17  1.0
  W  W12  1  0.51  0.0  0.23  1.0
  W  W13  1  0.98  0.0  0.12  1.0
  W  W14  1  0.22  0.0  0.53  1.0
  W  W15  1  0.2  0.0  0.58  1.0

data_Mo3W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   7.09
_cell_length_c   8.97
_cell_angle_alpha   108.44
_cell_angle_beta   90.0
_cell_angle_gamma   108.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo3W
_chemical_formula_sum   'Mo12 W4'
_cell_volume   254.96
_cell_formula_units_Z   4
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  0.01  0.95  1.0
  Mo  Mo1  1  0.0  0.03  0.83  1.0
  Mo  Mo2  1  0.0  0.25  0.36  1.0
  Mo  Mo3  1  0.0  0.27  0.3  1.0
  Mo  Mo4  1  0.0  0.27  0.24  1.0
  Mo  Mo5  1  0.0  0.29  0.19  1.0
  Mo  Mo6  1  0.0  0.51  0.71  1.0
  Mo  Mo7  1  0.0  0.52  0.66  1.0
  Mo  Mo8  1  0.0  0.53  0.6  1.0
  Mo  Mo9  1  0.0  0.54  0.55  1.0
  Mo  Mo10  1  0.0  0.75  0.13  1.0
  Mo  Mo11  1  0.0  0.76  0.08  1.0
  W  W12  1  0.0  0.02  0.88  1.0
  W  W13  1  0.0  0.49  0.77  1.0
  W  W14  1  0.0  0.78  0.47  1.0
  W  W15  1  0.0  0.8  0.42  1.0

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