# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55301590
_cell_length_b   7.96519361
_cell_length_c   49.91408811
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.24437663
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu36
_cell_volume   1001.83336267
_cell_formula_units_Z   36
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  Cu1  1  0.838443  0.671333  0.307402  1
  Cu  Cu2  1  0.220474  0.435259  0.330941  1
  Cu  Cu3  1  0.600973  0.196253  0.354038  1
  Cu  Cu4  1  0.451108  0.896200  0.334001  1
  Cu  Cu5  1  0.690083  0.373975  0.288875  1
  Cu  Cu6  1  0.070433  0.134896  0.311106  1
  Cu  Cu7  1  0.982047  0.958377  0.377875  1
  Cu  Cu8  1  0.362836  0.719875  0.402006  1
  Cu  Cu9  1  0.743353  0.480856  0.425908  1
  Cu  Cu10  1  0.593231  0.180248  0.405832  1
  Cu  Cu11  1  0.832707  0.659267  0.358157  1
  Cu  Cu12  1  0.212686  0.419204  0.382116  1
  Cu  Cu13  1  0.123964  0.242029  0.449722  1
  Cu  Cu14  1  0.504651  0.003344  0.473626  1
  Cu  Cu15  1  0.885318  0.764629  0.497535  1
  Cu  Cu16  1  0.735424  0.464461  0.477527  1
  Cu  Cu17  1  0.974157  0.942030  0.429721  1
  Cu  Cu18  1  0.354840  0.703345  0.453650  1
  Cu  Cu19  1  0.265969  0.525871  0.521408  1
  Cu  Cu20  1  0.646552  0.286987  0.545285  1
  Cu  Cu21  1  0.027236  0.048302  0.569213  1
  Cu  Cu22  1  0.877428  0.748303  0.549213  1
  Cu  Cu23  1  0.116075  0.225703  0.501399  1
  Cu  Cu24  1  0.496741  0.986988  0.525308  1
  Cu  Cu25  1  0.408162  0.810083  0.593103  1
  Cu  Cu26  1  0.788706  0.571128  0.616818  1
  Cu  Cu27  1  0.168686  0.331065  0.640778  1
  Cu  Cu28  1  0.019345  0.031955  0.621059  1
  Cu  Cu29  1  0.258039  0.509476  0.573027  1
  Cu  Cu30  1  0.638556  0.270457  0.596929  1
  Cu  Cu31  1  0.550285  0.094131  0.664934  1
  Cu  Cu32  1  0.930959  0.855435  0.687829  1
  Cu  Cu33  1  0.311310  0.616357  0.710060  1
  Cu  Cu34  1  0.162949  0.318998  0.691533  1
  Cu  Cu35  1  0.400420  0.794078  0.644897  1
  Cu  Cu36  1  0.780918  0.555073  0.667994  1
