data_Cs2MoN(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   8.7
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   112.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2MoN(Cl2O)2
_chemical_formula_sum   'Cs4 Mo2 N2 Cl8 O4'
_cell_volume   572.93
_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
  Cs  Cs0  1  0.92  0.52  0.56  1.0
  Cs  Cs1  1  0.87  0.17  0.22  1.0
  Cs  Cs2  1  0.17  0.52  0.8  1.0
  Cs  Cs3  1  0.62  0.17  0.98  1.0
  Mo  Mo4  1  0.88  0.52  0.54  1.0
  Mo  Mo5  1  0.91  0.17  0.24  1.0
  N  N6  1  0.88  0.52  0.43  1.0
  N  N7  1  0.91  0.17  0.35  1.0
  Cl  Cl8  1  0.65  0.79  0.29  1.0
  Cl  Cl9  1  0.66  0.94  0.48  1.0
  Cl  Cl10  1  0.65  0.25  0.29  1.0
  Cl  Cl11  1  0.66  0.4  0.48  1.0
  Cl  Cl12  1  0.14  0.9  0.48  1.0
  Cl  Cl13  1  0.12  0.75  0.3  1.0
  Cl  Cl14  1  0.14  0.44  0.48  1.0
  Cl  Cl15  1  0.12  0.29  0.3  1.0
  O  O16  1  0.14  0.52  0.0  1.0
  O  O17  1  0.65  0.17  0.78  1.0
  O  O18  1  0.87  0.52  0.27  1.0
  O  O19  1  0.92  0.17  0.51  1.0

data_Cs2MoN(Cl2O)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.51
_cell_length_b   8.7
_cell_length_c   9.53
_cell_angle_alpha   90.0
_cell_angle_beta   112.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cs2MoN(Cl2O)2
_chemical_formula_sum   'Cs4 Mo2 N2 Cl8 O4'
_cell_volume   572.93
_cell_formula_units_Z   2
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
  Cs  Cs0  2  0.23  0.83  0.59  1.0
  Cs  Cs1  2  0.48  0.83  0.83  1.0
  Mo  Mo2  2  0.49  0.17  0.15  1.0
  N  N3  2  0.48  0.17  0.04  1.0
  Cl  Cl4  2  0.25  0.44  0.9  1.0
  Cl  Cl5  2  0.25  0.9  0.9  1.0
  Cl  Cl6  2  0.27  0.06  0.09  1.0
  Cl  Cl7  2  0.27  0.6  0.09  1.0
  O  O8  2  0.25  0.83  0.39  1.0
  O  O9  2  0.47  0.17  0.88  1.0

Cs Cs Cs Cs Mo Mo N N Cl Cl Cl Cl Cl Cl Cl Cl O O O O
Cs Cs Cs Cs Mo Mo N N Cl Cl Cl Cl Cl Cl Cl Cl O O O O 0 4 o o o 0 2 + o o 0 6 o o o 0 11 o o o 0 14 + o o 1 5 o o o 1 3 o o - 1 7 o o o 1 10 o o o 1 15 + o o 2 16 o o + 3 17 o o o 4 6 o o o 4 11 o o o 4 14 + o o 5 7 o o o 5 10 o o o 5 15 + o o 6 11 o o o 6 14 + o o 6 18 o o o 7 10 o o o 7 15 + o o 7 19 o o o 8 9 o o o 10 19 o o o 10 11 o o o 12 13 o o o 14 15 o o o 14 18 - o o 