# generated using pymatgen
data_CuH8C4N8(ClO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43312000
_cell_length_b   6.46283715
_cell_length_c   9.36111587
_cell_angle_alpha   73.19870015
_cell_angle_beta   78.85610132
_cell_angle_gamma   82.17613124
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH8C4N8(ClO)2
_chemical_formula_sum   'Cu1 H8 C4 N8 Cl2 O2'
_cell_volume   307.60668049
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  H  H1  1  0.00849500  0.76713400  0.49226100  1.0
  H  H2  1  0.99150500  0.23286600  0.50773900  1.0
  H  H3  1  0.22167200  0.81537900  0.32454700  1.0
  H  H4  1  0.77832800  0.18462100  0.67545300  1.0
  H  H5  1  0.16442100  0.68288300  0.72814200  1.0
  H  H6  1  0.83557900  0.31711700  0.27185800  1.0
  H  H7  1  0.49209500  0.67799400  0.72334100  1.0
  H  H8  1  0.50790500  0.32200600  0.27665900  1.0
  C  C9  1  0.69808300  0.82772500  0.30439500  1.0
  C  C10  1  0.30191700  0.17227500  0.69560500  1.0
  C  C11  1  0.38162500  0.74646600  0.51666100  1.0
  C  C12  1  0.61837500  0.25353400  0.48333900  1.0
  N  N13  1  0.79773800  0.87262000  0.17686100  1.0
  N  N14  1  0.20226200  0.12738000  0.82313900  1.0
  N  N15  1  0.62344900  0.76579900  0.44641600  1.0
  N  N16  1  0.37655100  0.23420100  0.55358400  1.0
  N  N17  1  0.18991900  0.78286700  0.43927700  1.0
  N  N18  1  0.81008100  0.21713300  0.56072300  1.0
  N  N19  1  0.34365300  0.68865300  0.66695500  1.0
  N  N20  1  0.65634700  0.31134700  0.33304500  1.0
  Cl  Cl21  1  0.77916600  0.71910600  0.85722500  1.0
  Cl  Cl22  1  0.22083400  0.28089400  0.14277500  1.0
  O  O23  1  0.75869500  0.21098700  0.94105900  1.0
  O  O24  1  0.24130500  0.78901300  0.05894100  1.0