data_MoWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.42
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   125.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoWO6
_chemical_formula_sum   'Mo2 W2 O12'
_cell_volume   221.94
_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  0.32  0.71  0.81  1.0
  W  W2  1  1.0  0.0  0.81  1.0
  W  W3  1  0.68  0.71  0.0  1.0
  O  O4  1  0.8  0.5  0.6  1.0
  O  O5  1  0.88  0.22  0.21  1.0
  O  O6  1  0.19  0.92  0.02  1.0
  O  O7  1  0.12  0.21  0.42  1.0
  O  O8  1  0.49  0.21  0.03  1.0
  O  O9  1  0.82  0.93  0.41  1.0
  O  O10  1  0.51  0.21  0.6  1.0
  O  O11  1  0.17  0.5  0.22  1.0
  O  O12  1  0.38  0.68  0.91  1.0
  O  O13  1  0.3  0.39  0.9  1.0
  O  O14  1  0.7  0.03  0.72  1.0
  O  O15  1  0.61  0.74  0.72  1.0

data_MoWO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.36
_cell_length_b   5.42
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoWO6
_chemical_formula_sum   'Mo2 W2 O12'
_cell_volume   221.94
_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  0.5  0.71  0.81  1.0
  W  W2  1  0.18  0.0  0.81  1.0
  W  W3  1  0.68  0.71  0.0  1.0
  O  O4  1  0.17  0.92  0.02  1.0
  O  O5  1  0.2  0.5  0.6  1.0
  O  O6  1  0.4  0.39  0.9  1.0
  O  O7  1  0.41  0.93  0.41  1.0
  O  O8  1  0.46  0.21  0.03  1.0
  O  O9  1  0.47  0.68  0.91  1.0
  O  O10  1  0.67  0.22  0.21  1.0
  O  O11  1  0.7  0.21  0.42  1.0
  O  O12  1  0.9  0.74  0.72  1.0
  O  O13  1  0.91  0.21  0.6  1.0
  O  O14  1  0.96  0.5  0.22  1.0
  O  O15  1  0.97  0.03  0.72  1.0

Mo Mo W W O O O O O O O O O O O O