# generated using pymatgen
data_CuH8C4(NO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99785600
_cell_length_b   8.08359100
_cell_length_c   8.17687053
_cell_angle_alpha   63.27046017
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH8C4(NO3)2
_chemical_formula_sum   'Cu2 H16 C8 N4 O12'
_cell_volume   472.15477536
_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  0.50000000  1.0
  H  H2  1  0.45651200  0.63516700  0.84288100  1.0
  H  H3  1  0.87083900  0.63784800  0.24014300  1.0
  H  H4  1  0.28280200  0.83287700  0.40978800  1.0
  H  H5  1  0.62916100  0.13784800  0.24014300  1.0
  H  H6  1  0.21719800  0.33287700  0.40978800  1.0
  H  H7  1  0.95651200  0.86483300  0.15711900  1.0
  H  H8  1  0.36238800  0.84462800  0.05090500  1.0
  H  H9  1  0.37083900  0.86215200  0.75985700  1.0
  H  H10  1  0.71719800  0.16712300  0.59021200  1.0
  H  H11  1  0.63761200  0.15537200  0.94909500  1.0
  H  H12  1  0.04348800  0.13516700  0.84288100  1.0
  H  H13  1  0.54348800  0.36483300  0.15711900  1.0
  H  H14  1  0.13761200  0.34462800  0.05090500  1.0
  H  H15  1  0.12916100  0.36215200  0.75985700  1.0
  H  H16  1  0.86238800  0.65537200  0.94909500  1.0
  H  H17  1  0.78280200  0.66712300  0.59021200  1.0
  C  C18  1  0.29069100  0.21433200  0.50791800  1.0
  C  C19  1  0.70930900  0.78566800  0.49208200  1.0
  C  C20  1  0.40598000  0.72108900  0.03764900  1.0
  C  C21  1  0.90598000  0.77891100  0.96235100  1.0
  C  C22  1  0.09402000  0.22108900  0.03764900  1.0
  C  C23  1  0.79069100  0.28566800  0.49208200  1.0
  C  C24  1  0.20930900  0.71433200  0.50791800  1.0
  C  C25  1  0.59402000  0.27891100  0.96235100  1.0
  N  N26  1  0.58478900  0.25645800  0.13372800  1.0
  N  N27  1  0.91521100  0.75645800  0.13372800  1.0
  N  N28  1  0.41521100  0.74354200  0.86627200  1.0
  N  N29  1  0.08478900  0.24354200  0.86627200  1.0
  O  O30  1  0.55650400  0.42540700  0.82352800  1.0
  O  O31  1  0.92914800  0.25610900  0.43361600  1.0
  O  O32  1  0.57085200  0.75610900  0.43361600  1.0
  O  O33  1  0.23321400  0.05136500  0.56075800  1.0
  O  O34  1  0.26678600  0.55136500  0.56075800  1.0
  O  O35  1  0.42914800  0.24389100  0.56638400  1.0
  O  O36  1  0.05650400  0.07459300  0.17647200  1.0
  O  O37  1  0.44349600  0.57459300  0.17647200  1.0
  O  O38  1  0.07085200  0.74389100  0.56638400  1.0
  O  O39  1  0.76678600  0.94863500  0.43924200  1.0
  O  O40  1  0.94349600  0.92540700  0.82352800  1.0
  O  O41  1  0.73321400  0.44863500  0.43924200  1.0