# generated using pymatgen
data_CuPH6NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84158900
_cell_length_b   5.76088000
_cell_length_c   8.78542700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPH6NO5
_chemical_formula_sum   'Cu2 P2 H12 N2 O10'
_cell_volume   245.04148910
_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  0.49214700  0.00000000  0.02227500  1.0
  Cu  Cu1  1  0.99214700  0.50000000  0.97772500  1.0
  P  P2  1  0.93556100  0.00000000  0.81172000  1.0
  P  P3  1  0.43556100  0.50000000  0.18828000  1.0
  H  H4  1  0.55032600  0.00000000  0.54548200  1.0
  H  H5  1  0.05032600  0.50000000  0.45451800  1.0
  H  H6  1  0.37732700  0.14720600  0.40836300  1.0
  H  H7  1  0.87732700  0.35279400  0.59163700  1.0
  H  H8  1  0.37732700  0.85279400  0.40836300  1.0
  H  H9  1  0.87732700  0.64720600  0.59163700  1.0
  H  H10  1  0.19332600  0.00000000  0.54331600  1.0
  H  H11  1  0.69332600  0.50000000  0.45668400  1.0
  H  H12  1  0.89584200  0.13720900  0.18612300  1.0
  H  H13  1  0.39584200  0.36279100  0.81387700  1.0
  H  H14  1  0.89584200  0.86279100  0.18612300  1.0
  H  H15  1  0.39584200  0.63720900  0.81387700  1.0
  N  N16  1  0.37413400  0.00000000  0.47583700  1.0
  N  N17  1  0.87413400  0.50000000  0.52416300  1.0
  O  O18  1  0.79132900  0.78531200  0.88827000  1.0
  O  O19  1  0.29132900  0.71468800  0.11173000  1.0
  O  O20  1  0.79132900  0.21468800  0.88827000  1.0
  O  O21  1  0.29132900  0.28531200  0.11173000  1.0
  O  O22  1  0.25114400  0.00000000  0.83602700  1.0
  O  O23  1  0.75114400  0.50000000  0.16397300  1.0
  O  O24  1  0.88247300  0.00000000  0.63682100  1.0
  O  O25  1  0.38247300  0.50000000  0.36317900  1.0
  O  O26  1  0.77889300  0.00000000  0.20424000  1.0
  O  O27  1  0.27889300  0.50000000  0.79576000  1.0