# generated using pymatgen
data_CuH11C5NO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22215761
_cell_length_b   8.22215761
_cell_length_c   8.91104195
_cell_angle_alpha   61.95670073
_cell_angle_beta   61.95670073
_cell_angle_gamma   65.11690073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH11C5NO6
_chemical_formula_sum   'Cu2 H22 C10 N2 O12'
_cell_volume   453.57876969
_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  0.50000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.00000000  0.50000000  1.0
  H  H2  1  0.67959600  0.44972600  0.74076800  1.0
  H  H3  1  0.55027400  0.32040400  0.75923200  1.0
  H  H4  1  0.32040400  0.55027400  0.25923200  1.0
  H  H5  1  0.44972600  0.67959600  0.24076800  1.0
  H  H6  1  0.97354500  0.27194100  0.57535700  1.0
  H  H7  1  0.72805900  0.02645500  0.92464300  1.0
  H  H8  1  0.02645500  0.72805900  0.42464300  1.0
  H  H9  1  0.27194100  0.97354500  0.07535700  1.0
  H  H10  1  0.84317300  0.13831000  0.58756700  1.0
  H  H11  1  0.86169000  0.15682700  0.91243300  1.0
  H  H12  1  0.15682700  0.86169000  0.41243300  1.0
  H  H13  1  0.13831000  0.84317300  0.08756700  1.0
  H  H14  1  0.79842300  0.38899000  0.46514400  1.0
  H  H15  1  0.61101000  0.20157700  0.03485600  1.0
  H  H16  1  0.20157700  0.61101000  0.53485600  1.0
  H  H17  1  0.38899000  0.79842300  0.96514400  1.0
  H  H18  1  0.66353300  0.33646700  0.25000000  1.0
  H  H19  1  0.33646700  0.66353300  0.75000000  1.0
  H  H20  1  0.23895700  0.18455200  0.22777700  1.0
  H  H21  1  0.81544800  0.76104300  0.27222300  1.0
  H  H22  1  0.76104300  0.81544800  0.77222300  1.0
  H  H23  1  0.18455200  0.23895700  0.72777700  1.0
  C  C24  1  0.24069300  0.32128000  0.22273800  1.0
  C  C25  1  0.67872000  0.75930700  0.27726200  1.0
  C  C26  1  0.75930700  0.67872000  0.77726200  1.0
  C  C27  1  0.32128000  0.24069300  0.72273800  1.0
  C  C28  1  0.78851200  0.21148800  0.25000000  1.0
  C  C29  1  0.21148800  0.78851200  0.75000000  1.0
  C  C30  1  0.83492900  0.27659600  0.58304200  1.0
  C  C31  1  0.72340400  0.16507100  0.91695800  1.0
  C  C32  1  0.16507100  0.72340400  0.41695800  1.0
  C  C33  1  0.27659600  0.83492900  0.08304200  1.0
  N  N34  1  0.68632300  0.31367700  0.75000000  1.0
  N  N35  1  0.31367700  0.68632300  0.25000000  1.0
  O  O36  1  0.95466700  0.23808600  0.16067800  1.0
  O  O37  1  0.76191400  0.04533300  0.33932200  1.0
  O  O38  1  0.04533300  0.76191400  0.83932200  1.0
  O  O39  1  0.23808600  0.95466700  0.66067800  1.0
  O  O40  1  0.14492800  0.47677500  0.13744500  1.0
  O  O41  1  0.52322500  0.85507200  0.36255500  1.0
  O  O42  1  0.85507200  0.52322500  0.86255500  1.0
  O  O43  1  0.47677500  0.14492800  0.63744500  1.0
  O  O44  1  0.33663700  0.31684600  0.30199500  1.0
  O  O45  1  0.68315400  0.66336300  0.19800500  1.0
  O  O46  1  0.66336300  0.68315400  0.69800500  1.0
  O  O47  1  0.31684600  0.33663700  0.80199500  1.0