# generated using pymatgen
data_CuP2H8CN2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30005858
_cell_length_b   7.30005858
_cell_length_c   8.29302815
_cell_angle_alpha   81.94611131
_cell_angle_beta   81.94611131
_cell_angle_gamma   62.78595316
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuP2H8CN2O5
_chemical_formula_sum   'Cu2 P4 H16 C2 N4 O10'
_cell_volume   387.69148941
_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  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.50000000  1.0
  P  P2  1  0.70477100  0.94935300  0.79726200  1.0
  P  P3  1  0.05064700  0.29522900  0.70273800  1.0
  P  P4  1  0.29522900  0.05064700  0.20273800  1.0
  P  P5  1  0.94935300  0.70477100  0.29726200  1.0
  H  H6  1  0.48907200  0.38037000  0.87524300  1.0
  H  H7  1  0.61963000  0.51092800  0.62475700  1.0
  H  H8  1  0.51092800  0.61963000  0.12475700  1.0
  H  H9  1  0.38037000  0.48907200  0.37524300  1.0
  H  H10  1  0.23744200  0.53713800  0.95364800  1.0
  H  H11  1  0.46286200  0.76255800  0.54635200  1.0
  H  H12  1  0.76255800  0.46286200  0.04635200  1.0
  H  H13  1  0.53713800  0.23744200  0.45364800  1.0
  H  H14  1  0.50246100  0.96777200  0.83199000  1.0
  H  H15  1  0.03222800  0.49753900  0.66801000  1.0
  H  H16  1  0.49753900  0.03222800  0.16801000  1.0
  H  H17  1  0.96777200  0.50246100  0.33199000  1.0
  H  H18  1  0.83114600  0.73763000  0.83810300  1.0
  H  H19  1  0.26237000  0.16885400  0.66189700  1.0
  H  H20  1  0.16885400  0.26237000  0.16189700  1.0
  H  H21  1  0.73763000  0.83114600  0.33810300  1.0
  C  C22  1  0.33156300  0.66843700  0.75000000  1.0
  C  C23  1  0.66843700  0.33156300  0.25000000  1.0
  N  N24  1  0.34931000  0.50522600  0.85861800  1.0
  N  N25  1  0.49477400  0.65069000  0.64138200  1.0
  N  N26  1  0.65069000  0.49477400  0.14138200  1.0
  N  N27  1  0.50522600  0.34931000  0.35861800  1.0
  O  O28  1  0.72818900  0.07897900  0.91655000  1.0
  O  O29  1  0.92102100  0.27181100  0.58345000  1.0
  O  O30  1  0.27181100  0.92102100  0.08345000  1.0
  O  O31  1  0.07897900  0.72818900  0.41655000  1.0
  O  O32  1  0.73437500  0.00411900  0.61335800  1.0
  O  O33  1  0.99588100  0.26562500  0.88664200  1.0
  O  O34  1  0.26562500  0.99588100  0.38664200  1.0
  O  O35  1  0.00411900  0.73437500  0.11335800  1.0
  O  O36  1  0.16441900  0.83558100  0.75000000  1.0
  O  O37  1  0.83558100  0.16441900  0.25000000  1.0