data_MoSeCl7O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.17
_cell_length_b   8.57
_cell_length_c   9.99
_cell_angle_alpha   89.62
_cell_angle_beta   66.97
_cell_angle_gamma   71.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoSeCl7O
_chemical_formula_sum   'Mo2 Se2 Cl14 O2'
_cell_volume   604.49
_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  0.59  0.55  0.57  1.0
  Mo  Mo1  1  0.22  0.34  0.53  1.0
  Se  Se2  1  0.84  0.01  0.11  1.0
  Se  Se3  1  0.97  0.87  1.0  1.0
  Cl  Cl4  1  0.89  0.27  0.34  1.0
  Cl  Cl5  1  0.37  0.18  0.68  1.0
  Cl  Cl6  1  0.99  0.53  0.4  1.0
  Cl  Cl7  1  0.07  0.79  0.07  1.0
  Cl  Cl8  1  0.06  0.75  0.68  1.0
  Cl  Cl9  1  0.83  0.44  0.72  1.0
  Cl  Cl10  1  0.5  0.59  0.73  1.0
  Cl  Cl11  1  0.75  0.13  0.42  1.0
  Cl  Cl12  1  0.92  0.62  0.76  1.0
  Cl  Cl13  1  0.74  0.1  0.04  1.0
  Cl  Cl14  1  0.98  0.45  0.38  1.0
  Cl  Cl15  1  0.43  0.7  0.42  1.0
  Cl  Cl16  1  0.81  0.36  0.71  1.0
  Cl  Cl17  1  0.31  0.29  0.38  1.0
  O  O18  1  0.16  0.08  0.5  1.0
  O  O19  1  0.64  0.8  0.6  1.0

data_MoSeCl7O
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.17
_cell_length_b   8.57
_cell_length_c   9.99
_cell_angle_alpha   89.62
_cell_angle_beta   66.97
_cell_angle_gamma   71.45
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MoSeCl7O
_chemical_formula_sum   'Mo2 Se2 Cl14 O2'
_cell_volume   604.49
_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
  Mo  Mo0  2  0.19  0.1  0.52  1.0
  Se  Se1  2  0.43  0.57  0.05  1.0
  Cl  Cl2  2  0.03  0.26  0.37  1.0
  Cl  Cl3  2  0.1  0.15  0.67  1.0
  Cl  Cl4  2  0.34  0.65  0.98  1.0
  Cl  Cl5  2  0.35  0.69  0.37  1.0
  Cl  Cl6  2  0.41  0.92  0.66  1.0
  Cl  Cl7  2  0.43  0.99  0.67  1.0
  Cl  Cl8  2  0.48  0.82  0.29  1.0
  O  O9  2  0.24  0.36  0.55  1.0

Mo Mo Se Se Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O