# generated using pymatgen
data_CuN2(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94778200
_cell_length_b   8.13496099
_cell_length_c   8.16843151
_cell_angle_alpha   89.68628204
_cell_angle_beta   72.91374680
_cell_angle_gamma   89.39268567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuN2(Cl2O)2
_chemical_formula_sum   'Cu2 N4 Cl8 O4'
_cell_volume   441.27619677
_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
  Cu  Cu0  1  0.49673800  0.50025600  0.49968700  1.0
  Cu  Cu1  1  0.00384900  0.00019600  0.00020700  1.0
  N  N2  1  0.24715700  0.00506600  0.49614500  1.0
  N  N3  1  0.75732300  0.49283100  0.99360300  1.0
  N  N4  1  0.75268500  0.99348300  0.50342500  1.0
  N  N5  1  0.23859700  0.50678200  0.00810200  1.0
  Cl  Cl6  1  0.48653200  0.68004900  0.30640300  1.0
  Cl  Cl7  1  0.50716600  0.32029300  0.69285300  1.0
  Cl  Cl8  1  0.99824300  0.80924000  0.81865100  1.0
  Cl  Cl9  1  0.00962300  0.19116000  0.18173700  1.0
  Cl  Cl10  1  0.92934600  0.64362100  0.33694200  1.0
  Cl  Cl11  1  0.06475400  0.35606000  0.66181200  1.0
  Cl  Cl12  1  0.43441700  0.84254000  0.85753600  1.0
  Cl  Cl13  1  0.57236400  0.15671800  0.14338100  1.0
  O  O14  1  0.21829100  0.47050800  0.52226500  1.0
  O  O15  1  0.72826300  0.03502000  0.01254800  1.0
  O  O16  1  0.77494300  0.53034400  0.47744400  1.0
  O  O17  1  0.27970800  0.96583400  0.98726300  1.0