data_Cd2Mo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   10.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Mo3O8
_chemical_formula_sum   'Cd4 Mo6 O16'
_cell_volume   367.87
_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
  Cd  Cd0  1  0.0  0.7  0.77  1.0
  Cd  Cd1  1  0.2  0.85  0.94  1.0
  Cd  Cd2  1  0.0  0.7  0.82  1.0
  Cd  Cd3  1  0.2  0.85  0.65  1.0
  Mo  Mo4  1  0.63  0.64  0.46  1.0
  Mo  Mo5  1  0.0  0.81  0.46  1.0
  Mo  Mo6  1  0.57  0.91  0.63  1.0
  Mo  Mo7  1  0.37  0.64  0.46  1.0
  Mo  Mo8  1  0.2  0.74  0.63  1.0
  Mo  Mo9  1  0.84  0.91  0.63  1.0
  O  O10  1  0.62  0.9  0.31  1.0
  O  O11  1  0.0  0.29  0.31  1.0
  O  O12  1  0.58  0.65  0.48  1.0
  O  O13  1  0.38  0.9  0.31  1.0
  O  O14  1  0.2  0.26  0.48  1.0
  O  O15  1  0.82  0.65  0.48  1.0
  O  O16  1  0.53  0.88  0.4  1.0
  O  O17  1  0.2  0.78  0.4  1.0
  O  O18  1  0.67  0.66  0.58  1.0
  O  O19  1  0.88  0.88  0.4  1.0
  O  O20  1  0.0  0.77  0.58  1.0
  O  O21  1  0.33  0.66  0.58  1.0
  O  O22  1  0.0  0.0  0.57  1.0
  O  O23  1  0.0  0.0  0.4  1.0
  O  O24  1  0.0  0.7  0.56  1.0
  O  O25  1  0.2  0.85  0.73  1.0

data_Cd2Mo3O8
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   10.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Mo3O8
_chemical_formula_sum   'Cd4 Mo6 O16'
_cell_volume   367.87
_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
  Cd  Cd0  1  -0.0  0.7  0.77  1.0
  Cd  Cd1  1  -0.0  0.7  0.82  1.0
  Cd  Cd2  1  0.2  0.85  0.65  1.0
  Cd  Cd3  1  0.2  0.85  0.94  1.0
  Mo  Mo4  1  -0.0  0.81  0.46  1.0
  Mo  Mo5  1  0.2  0.74  0.63  1.0
  Mo  Mo6  1  0.37  0.64  0.46  1.0
  Mo  Mo7  1  0.57  0.91  0.63  1.0
  Mo  Mo8  1  0.63  0.64  0.46  1.0
  Mo  Mo9  1  0.84  0.91  0.63  1.0
  O  O10  1  -0.0  0.29  0.31  1.0
  O  O11  1  -0.0  0.77  0.58  1.0
  O  O12  1  -0.0  0.7  0.56  1.0
  O  O13  1  0.0  0.0  0.4  1.0
  O  O14  1  0.0  0.0  0.57  1.0
  O  O15  1  0.2  0.26  0.48  1.0
  O  O16  1  0.2  0.78  0.4  1.0
  O  O17  1  0.2  0.85  0.73  1.0
  O  O18  1  0.33  0.66  0.58  1.0
  O  O19  1  0.38  0.9  0.31  1.0
  O  O20  1  0.53  0.88  0.4  1.0
  O  O21  1  0.58  0.65  0.48  1.0
  O  O22  1  0.62  0.9  0.31  1.0
  O  O23  1  0.67  0.66  0.58  1.0
  O  O24  1  0.82  0.65  0.48  1.0
  O  O25  1  0.88  0.88  0.4  1.0

Cd Cd Cd Cd Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O
Cd Cd Cd Cd Mo Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O 0 2 o o o 1 2 o o o 3 8 o o o 3 25 o o o 4 12 o o o 4 15 o o o 4 18 o o o 5 15 - o o 5 23 o + o 5 19 - o o 5 24 o o o 5 20 o o o 5 17 o o o 6 21 o o o 6 8 o o o 6 18 o o o 6 9 o o o 7 21 o o o 7 16 o o o 7 12 o o o 8 21 o o o 9 22 + + o 10 16 o o o 10 11 + + o 10 13 o o o 11 23 o o o 11 14 o o o 11 19 - - o 12 18 o o o 13 17 o o o 13 16 o o o 14 23 o o o 14 22 o o o 15 24 + o o 15 20 + o o 19 23 + + o 20 24 o o o 