# generated using pymatgen
data_Cu2H4C4N3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40522600
_cell_length_b   8.17302600
_cell_length_c   8.85787005
_cell_angle_alpha   83.71901023
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2H4C4N3O
_chemical_formula_sum   'Cu8 H16 C16 N12 O4'
_cell_volume   604.84875270
_cell_formula_units_Z   4
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  0.23845700  0.24040300  0.58377600  1.0
  Cu  Cu1  1  0.20301100  0.27021800  0.87877500  1.0
  Cu  Cu2  1  0.73845700  0.75959700  0.41622400  1.0
  Cu  Cu3  1  0.70301100  0.72978200  0.12122500  1.0
  Cu  Cu4  1  0.31714600  0.86357500  0.41487400  1.0
  Cu  Cu5  1  0.26562200  0.95507400  0.13892200  1.0
  Cu  Cu6  1  0.81714600  0.13642500  0.58512600  1.0
  Cu  Cu7  1  0.76562200  0.04492600  0.86107800  1.0
  H  H8  1  0.38449500  0.72227700  0.65687800  1.0
  H  H9  1  0.15680400  0.70233200  0.85220700  1.0
  H  H10  1  0.31096500  0.33087100  0.72632500  1.0
  H  H11  1  0.72251700  0.37106800  0.87255100  1.0
  H  H12  1  0.68601000  0.95214700  0.64046700  1.0
  H  H13  1  0.98612500  0.88247400  0.04279000  1.0
  H  H14  1  0.28042700  0.87522400  0.86343800  1.0
  H  H15  1  0.17389000  0.78588500  0.58897200  1.0
  H  H16  1  0.67389000  0.21411500  0.41102800  1.0
  H  H17  1  0.78042700  0.12477600  0.13656200  1.0
  H  H18  1  0.18601000  0.04785300  0.35953300  1.0
  H  H19  1  0.48612500  0.11752600  0.95721000  1.0
  H  H20  1  0.22251700  0.62893200  0.12744900  1.0
  H  H21  1  0.81096500  0.66912900  0.27367500  1.0
  H  H22  1  0.88449500  0.27772300  0.34312200  1.0
  H  H23  1  0.65680400  0.29766800  0.14779300  1.0
  C  C24  1  0.76130200  0.25293900  0.08554100  1.0
  C  C25  1  0.58965100  0.25654400  0.49607000  1.0
  C  C26  1  0.08269000  0.43144200  0.55745500  1.0
  C  C27  1  0.48780000  0.56464100  0.98402500  1.0
  C  C28  1  0.58269000  0.56855800  0.44254500  1.0
  C  C29  1  0.98780000  0.43535900  0.01597500  1.0
  C  C30  1  0.08965100  0.74345600  0.50393000  1.0
  C  C31  1  0.26130200  0.74706100  0.91445900  1.0
  C  C32  1  0.39964100  0.64843300  0.87129300  1.0
  C  C33  1  0.62734700  0.91613400  0.53323500  1.0
  C  C34  1  0.95901800  0.84864100  0.46771500  1.0
  C  C35  1  0.54019000  0.91065000  0.11009700  1.0
  C  C36  1  0.45901800  0.15135900  0.53228500  1.0
  C  C37  1  0.04019000  0.08935000  0.88990300  1.0
  C  C38  1  0.12734700  0.08386600  0.46676500  1.0
  C  C39  1  0.89964100  0.35156700  0.12870700  1.0
  N  N40  1  0.72489000  0.25506800  0.92727700  1.0
  N  N41  1  0.57863900  0.42523700  0.47971200  1.0
  N  N42  1  0.06536300  0.47387900  0.90513300  1.0
  N  N43  1  0.07863900  0.57476300  0.52028800  1.0
  N  N44  1  0.56536300  0.52612100  0.09486700  1.0
  N  N45  1  0.22489000  0.74493200  0.07272300  1.0
  N  N46  1  0.77054500  0.80854700  0.89591200  1.0
  N  N47  1  0.48983000  0.99265600  0.50416200  1.0
  N  N48  1  0.03661900  0.99434800  0.00664300  1.0
  N  N49  1  0.98983000  0.00734400  0.49583800  1.0
  N  N50  1  0.53661900  0.00565200  0.99335700  1.0
  N  N51  1  0.27054500  0.19145300  0.10408800  1.0
  O  O52  1  0.28832400  0.29504700  0.19261000  1.0
  O  O53  1  0.94547900  0.35702200  0.27467100  1.0
  O  O54  1  0.44547900  0.64297800  0.72532900  1.0
  O  O55  1  0.78832400  0.70495300  0.80739000  1.0