data_MoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.03
_cell_length_b   14.03
_cell_length_c   14.03
_cell_angle_alpha   164.52
_cell_angle_beta   164.52
_cell_angle_gamma   21.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoW2
_chemical_formula_sum   'Mo4 W8'
_cell_volume   196.91
_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  0.0  0.29  1.0
  Mo  Mo1  1  0.0  0.0  0.26  1.0
  Mo  Mo2  1  0.0  0.89  0.18  1.0
  Mo  Mo3  1  0.0  0.89  0.59  1.0
  W  W4  1  0.0  0.0  0.89  1.0
  W  W5  1  0.0  0.0  0.66  1.0
  W  W6  1  0.89  0.0  0.0  1.0
  W  W7  1  0.89  0.0  0.77  1.0
  W  W8  1  0.0  0.0  0.48  1.0
  W  W9  1  0.0  0.0  0.07  1.0
  W  W10  1  0.89  0.0  0.59  1.0
  W  W11  1  0.89  0.0  0.18  1.0

data_MoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   14.03
_cell_angle_alpha   97.74
_cell_angle_beta   97.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoW2
_chemical_formula_sum   'Mo4 W8'
_cell_volume   196.91
_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  0.26  0.26  0.26  1.0
  Mo  Mo1  1  0.29  0.18  0.29  1.0
  Mo  Mo2  1  0.29  0.29  0.29  1.0
  Mo  Mo3  1  0.7  0.59  0.7  1.0
  W  W4  1  0.0  0.11  0.11  1.0
  W  W5  1  0.07  0.07  0.07  1.0
  W  W6  1  0.18  0.29  0.29  1.0
  W  W7  1  0.48  0.48  0.48  1.0
  W  W8  1  0.59  0.7  0.7  1.0
  W  W9  1  0.66  0.66  0.66  1.0
  W  W10  1  0.77  0.88  0.88  1.0
  W  W11  1  0.89  0.89  0.89  1.0

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