data_ZnMo3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51
_cell_length_b   9.51
_cell_length_c   9.51
_cell_angle_alpha   157.06
_cell_angle_beta   124.26
_cell_angle_gamma   61.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnMo3O14
_chemical_formula_sum   'Zn1 Mo3 O14'
_cell_volume   275.38
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.89  0.0  0.71  1.0
  Mo  Mo1  1  0.0  0.84  0.22  1.0
  Mo  Mo2  1  0.0  0.05  0.22  1.0
  Mo  Mo3  1  0.0  0.45  0.95  1.0
  O  O4  1  0.89  0.41  0.87  1.0
  O  O5  1  0.0  0.04  0.06  1.0
  O  O6  1  0.0  0.0  0.76  1.0
  O  O7  1  0.0  0.0  0.03  1.0
  O  O8  1  0.0  0.0  0.99  1.0
  O  O9  1  0.0  0.0  0.06  1.0
  O  O10  1  0.89  0.54  0.01  1.0
  O  O11  1  0.0  0.86  0.59  1.0
  O  O12  1  0.0  0.03  0.59  1.0
  O  O13  1  0.89  0.46  0.01  1.0
  O  O14  1  0.0  0.79  0.88  1.0
  O  O15  1  0.0  0.1  0.88  1.0
  O  O16  1  0.89  0.98  0.82  1.0
  O  O17  1  0.89  0.02  0.82  1.0

data_ZnMo3O14
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   8.89
_cell_length_c   9.51
_cell_angle_alpha   117.87
_cell_angle_beta   101.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnMo3O14
_chemical_formula_sum   'Zn1 Mo3 O14'
_cell_volume   275.38
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.0  0.71  0.82  1.0
  Mo  Mo1  1  0.16  0.38  0.38  1.0
  Mo  Mo2  1  0.55  0.5  0.5  1.0
  Mo  Mo3  1  0.95  0.17  0.17  1.0
  O  O4  1  0.0  0.03  0.03  1.0
  O  O5  1  0.0  0.06  0.06  1.0
  O  O6  1  0.0  0.76  0.76  1.0
  O  O7  1  0.0  0.99  0.99  1.0
  O  O8  1  0.02  0.85  0.96  1.0
  O  O9  1  0.14  0.73  0.73  1.0
  O  O10  1  0.21  0.09  0.09  1.0
  O  O11  1  0.46  0.47  0.58  1.0
  O  O12  1  0.54  0.55  0.66  1.0
  O  O13  1  0.59  0.46  0.57  1.0
  O  O14  1  0.9  0.78  0.78  1.0
  O  O15  1  0.96  0.02  0.02  1.0
  O  O16  1  0.97  0.56  0.56  1.0
  O  O17  1  0.98  0.8  0.91  1.0

Zn Mo Mo Mo O O O O O O O O O O O O O O
Zn Mo Mo Mo O O O O O O O O O O O O O O 0 17 o o o 0 6 + o o 0 15 + o o 1 10 - o o 1 4 - o - 1 2 o + o 1 12 o + o 1 3 o o - 2 9 o o o 2 7 o o o 2 14 o - - 3 4 - o o 3 10 - o + 3 12 o o o 4 10 o o + 4 12 + o o 4 13 o o + 5 7 o o o 5 8 o o - 6 15 o o o 6 11 o - o 6 12 o o o 7 8 o o - 7 9 o o o 7 14 o - - 9 14 o - - 10 13 o o o 11 12 o + o 16 17 o + o 