data_K2MoCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.51
_cell_length_b   9.89
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2MoCl5O
_chemical_formula_sum   'K8 Mo4 Cl20 O4'
_cell_volume   926.22
_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
  K  K20  1  0.58  0.97  0.72  1.0
  K  K21  1  0.69  0.92  0.25  1.0
  K  K22  1  0.82  0.87  0.68  1.0
  K  K23  1  0.93  0.02  0.21  1.0
  K  K24  1  0.93  0.92  0.21  1.0
  K  K25  1  0.82  0.97  0.68  1.0
  K  K26  1  0.69  0.02  0.25  1.0
  K  K27  1  0.58  0.87  0.72  1.0
  Mo  Mo28  1  0.04  0.42  0.71  1.0
  Mo  Mo29  1  0.22  0.47  0.25  1.0
  Mo  Mo30  1  0.29  0.42  0.68  1.0
  Mo  Mo31  1  0.47  0.47  0.21  1.0
  Cl  Cl0  1  0.22  0.03  0.86  1.0
  Cl  Cl1  1  0.04  0.87  0.4  1.0
  Cl  Cl2  1  0.47  0.82  0.53  1.0
  Cl  Cl3  1  0.29  0.08  0.07  1.0
  Cl  Cl4  1  0.29  0.87  0.07  1.0
  Cl  Cl5  1  0.47  0.03  0.53  1.0
  Cl  Cl6  1  0.04  0.08  0.4  1.0
  Cl  Cl7  1  0.22  0.82  0.86  1.0
  Cl  Cl8  1  0.77  0.42  0.78  1.0
  Cl  Cl9  1  0.49  0.47  0.31  1.0
  Cl  Cl10  1  0.02  0.42  0.62  1.0
  Cl  Cl11  1  0.74  0.47  0.15  1.0
  Cl  Cl12  1  0.12  0.42  0.32  1.0
  Cl  Cl13  1  0.15  0.47  0.85  1.0
  Cl  Cl14  1  0.36  0.42  0.08  1.0
  Cl  Cl15  1  0.39  0.47  0.61  1.0
  Cl  Cl16  1  0.75  0.42  0.01  1.0
  Cl  Cl17  1  0.51  0.47  0.47  1.0
  Cl  Cl18  1  1.0  0.42  0.46  1.0
  Cl  Cl19  1  0.76  0.47  0.92  1.0
  O  O32  1  0.72  0.42  0.65  1.0
  O  O33  1  0.03  0.47  0.19  1.0
  O  O34  1  0.48  0.42  0.74  1.0
  O  O35  1  0.79  0.47  0.28  1.0

data_K2MoCl5O
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.93
_cell_length_b   9.89
_cell_length_c   13.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K2MoCl5O
_chemical_formula_sum   'K8 Mo4 Cl20 O4'
_cell_volume   926.22
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  K  K0  2  0.25  0.08  0.18  1.0
  K  K1  2  0.25  0.98  0.18  1.0
  K  K2  2  0.29  0.08  0.93  1.0
  K  K3  2  0.29  0.98  0.93  1.0
  Mo  Mo4  2  0.25  0.53  0.71  1.0
  Mo  Mo5  2  0.29  0.53  0.47  1.0
  Cl  Cl6  2  0.04  0.47  1.0  1.0
  Cl  Cl7  2  0.1  0.13  0.53  1.0
  Cl  Cl8  2  0.1  0.92  0.53  1.0
  Cl  Cl9  2  0.11  0.47  0.61  1.0
  Cl  Cl10  2  0.19  0.53  0.98  1.0
  Cl  Cl11  2  0.35  0.53  0.74  1.0
  Cl  Cl12  2  0.35  0.47  0.36  1.0
  Cl  Cl13  2  0.43  0.13  0.29  1.0
  Cl  Cl14  2  0.43  0.92  0.29  1.0
  Cl  Cl15  2  0.49  0.47  0.24  1.0
  O  O16  2  0.22  0.53  0.28  1.0
  O  O17  2  0.31  0.53  0.03  1.0

K K K K K K K K Mo Mo Mo Mo Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O O O
K K K K K K K K Mo Mo Mo Mo Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O O O 0 7 o o o 0 17 o + o 1 6 o + o 2 5 o o o 3 4 o - o 3 18 + o o 4 13 + o o 7 14 o o o 8 22 o o o 8 25 o o o 9 24 o o o 10 27 o o o 11 21 o o o 11 26 o o o 12 19 o - o 12 15 o o + 13 18 o + o 14 17 o + o 15 16 o - o 16 19 o o - 20 32 o o o 20 31 o o o 21 29 o o o 22 30 - o o 23 28 o o o 23 35 o o o 24 33 o o o 27 34 o o o 28 31 o o - 