data_Mo5W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64
_cell_length_b   7.64
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo5W3
_chemical_formula_sum   'Mo10 W6'
_cell_volume   265.66
_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  0.54  0.31  1.0
  Mo  Mo1  1  0.07  0.08  0.94  1.0
  Mo  Mo2  1  0.77  0.0  0.31  1.0
  Mo  Mo3  1  0.89  0.54  0.94  1.0
  Mo  Mo4  1  0.0  0.41  0.0  1.0
  Mo  Mo5  1  0.0  0.41  0.62  1.0
  Mo  Mo6  1  0.82  0.21  0.0  1.0
  Mo  Mo7  1  0.82  0.21  0.62  1.0
  Mo  Mo8  1  0.87  0.0  0.94  1.0
  Mo  Mo9  1  0.93  0.08  0.31  1.0
  W  W10  1  0.48  0.64  0.94  1.0
  W  W11  1  0.7  0.98  0.31  1.0
  W  W12  1  0.05  0.0  0.94  1.0
  W  W13  1  0.52  0.64  0.31  1.0
  W  W14  1  0.6  0.0  0.31  1.0
  W  W15  1  0.3  0.98  0.94  1.0

data_Mo5W3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.25
_cell_length_b   7.64
_cell_length_c   7.64
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo5W3
_chemical_formula_sum   'Mo10 W6'
_cell_volume   265.66
_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  0.0  0.0  0.41  1.0
  Mo  Mo1  1  0.0  0.82  0.21  1.0
  Mo  Mo2  1  0.31  0.11  0.54  1.0
  Mo  Mo3  1  0.31  0.77  0.0  1.0
  Mo  Mo4  1  0.31  0.93  0.08  1.0
  Mo  Mo5  1  0.62  0.0  0.41  1.0
  Mo  Mo6  1  0.62  0.82  0.21  1.0
  Mo  Mo7  1  0.94  0.07  0.08  1.0
  Mo  Mo8  1  0.94  0.87  0.0  1.0
  Mo  Mo9  1  0.94  0.89  0.54  1.0
  W  W10  1  0.31  0.52  0.64  1.0
  W  W11  1  0.31  0.6  0.0  1.0
  W  W12  1  0.31  0.7  0.98  1.0
  W  W13  1  0.94  0.05  0.0  1.0
  W  W14  1  0.94  0.3  0.98  1.0
  W  W15  1  0.94  0.48  0.64  1.0

Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo W W W W W W
Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo W W W W W W 0 4 o o o 0 5 o o o 1 12 o o o 1 8 - o o 1 15 o - o 2 11 o - o 2 9 o o o 2 13 o - o 3 4 + o + 4 6 - o o 5 7 - o o 8 12 + o o 10 13 o o + 11 13 o o o 11 14 o + o 12 15 o - o 13 14 o + o 