# generated using pymatgen
data_CuN2(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06721100
_cell_length_b   8.06721100
_cell_length_c   6.17521900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuN2(Cl2O)2
_chemical_formula_sum   'Cu2 N4 Cl8 O4'
_cell_volume   401.88259374
_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  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  N  N2  1  0.00000000  0.50000000  0.25000000  1.0
  N  N3  1  0.50000000  0.00000000  0.75000000  1.0
  N  N4  1  0.00000000  0.50000000  0.75000000  1.0
  N  N5  1  0.50000000  0.00000000  0.25000000  1.0
  Cl  Cl6  1  0.30912700  0.69087300  0.50000000  1.0
  Cl  Cl7  1  0.69087300  0.30912700  0.50000000  1.0
  Cl  Cl8  1  0.19087300  0.19087300  0.00000000  1.0
  Cl  Cl9  1  0.80912700  0.80912700  0.00000000  1.0
  Cl  Cl10  1  0.36378500  0.63621500  0.00000000  1.0
  Cl  Cl11  1  0.63621500  0.36378500  0.00000000  1.0
  Cl  Cl12  1  0.13621500  0.13621500  0.50000000  1.0
  Cl  Cl13  1  0.86378500  0.86378500  0.50000000  1.0
  O  O14  1  0.50000000  0.50000000  0.19225300  1.0
  O  O15  1  0.00000000  0.00000000  0.69225300  1.0
  O  O16  1  0.50000000  0.50000000  0.80774700  1.0
  O  O17  1  0.00000000  0.00000000  0.30774700  1.0