data_MoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   7.66
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoW2
_chemical_formula_sum   'Mo2 W4'
_cell_volume   94.65
_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  0.0  1.0
  Mo  Mo1  1  0.38  0.83  0.24  1.0
  W  W2  1  0.54  0.57  0.0  1.0
  W  W3  1  0.84  0.4  0.24  1.0
  W  W4  1  0.92  0.26  0.24  1.0
  W  W5  1  0.22  0.09  0.0  1.0

data_MoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.48
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoW2
_chemical_formula_sum   'Mo2 W4'
_cell_volume   94.65
_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  0.0  1.0
  Mo  Mo1  1  0.62  0.76  0.17  1.0
  W  W2  1  0.08  0.76  0.74  1.0
  W  W3  1  0.16  0.76  0.6  1.0
  W  W4  1  0.46  0.0  0.43  1.0
  W  W5  1  0.78  0.0  0.91  1.0

Mo Mo W W W W
Mo Mo W W W W 0 5 o o o 0 1 o - o 0 1 - - o 1 5 o + o 1 2 o o o 2 3 o o o 3 4 o o o 