# generated using pymatgen
data_CuP2H12N2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25969929
_cell_length_b   7.25969929
_cell_length_c   7.49739804
_cell_angle_alpha   70.89671770
_cell_angle_beta   70.89671770
_cell_angle_gamma   42.78767966
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuP2H12N2(O4F)2
_chemical_formula_sum   'Cu1 P2 H12 N2 O8 F2'
_cell_volume   251.28316566
_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
  P  P1  1  0.62379000  0.62379000  0.78377100  1.0
  P  P2  1  0.37621000  0.37621000  0.21622900  1.0
  H  H3  1  0.86767300  0.16871700  0.65410900  1.0
  H  H4  1  0.16871700  0.86767300  0.65410900  1.0
  H  H5  1  0.13232700  0.83128300  0.34589100  1.0
  H  H6  1  0.83128300  0.13232700  0.34589100  1.0
  H  H7  1  0.18501900  0.49862200  0.82117300  1.0
  H  H8  1  0.49862200  0.18501900  0.82117300  1.0
  H  H9  1  0.81498100  0.50137800  0.17882700  1.0
  H  H10  1  0.50137800  0.81498100  0.17882700  1.0
  H  H11  1  0.37330200  0.37330200  0.61151300  1.0
  H  H12  1  0.62669800  0.62669800  0.38848700  1.0
  H  H13  1  0.24645500  0.24645500  0.76936200  1.0
  H  H14  1  0.75354500  0.75354500  0.23063800  1.0
  N  N15  1  0.32536400  0.32536400  0.75575800  1.0
  N  N16  1  0.67463600  0.67463600  0.24424200  1.0
  O  O17  1  0.56200300  0.56200300  0.64834900  1.0
  O  O18  1  0.43799700  0.43799700  0.35165100  1.0
  O  O19  1  0.37528300  0.85718100  0.90063800  1.0
  O  O20  1  0.85718100  0.37528300  0.90063800  1.0
  O  O21  1  0.62471700  0.14281900  0.09936200  1.0
  O  O22  1  0.14281900  0.62471700  0.09936200  1.0
  O  O23  1  0.97533900  0.97533900  0.70784000  1.0
  O  O24  1  0.02466100  0.02466100  0.29216000  1.0
  F  F25  1  0.74651800  0.74651800  0.64431100  1.0
  F  F26  1  0.25348200  0.25348200  0.35568900  1.0