# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42548861
_cell_length_b   8.76606518
_cell_length_c   45.80789315
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.34117788
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu64
_cell_volume   1719.23290169
_cell_formula_units_Z   64
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  0.809150  0.257718  0.295468  1
  Cu  Cu2  1  0.352703  0.502989  0.301792  1
  Cu  Cu3  1  0.051234  0.769943  0.282853  1
  Cu  Cu4  1  0.264125  0.012439  0.288871  1
  Cu  Cu5  1  0.319989  0.236467  0.321798  1
  Cu  Cu6  1  0.863575  0.482035  0.328246  1
  Cu  Cu7  1  0.564242  0.746721  0.308419  1
  Cu  Cu8  1  0.775414  0.991979  0.315204  1
  Cu  Cu9  1  0.832736  0.213921  0.349437  1
  Cu  Cu10  1  0.375798  0.457230  0.356242  1
  Cu  Cu11  1  0.076817  0.725061  0.336041  1
  Cu  Cu12  1  0.287611  0.968910  0.342643  1
  Cu  Cu13  1  0.344397  0.190667  0.377283  1
  Cu  Cu14  1  0.886320  0.435098  0.384112  1
  Cu  Cu15  1  0.588092  0.701659  0.363451  1
  Cu  Cu16  1  0.800643  0.946446  0.370549  1
  Cu  Cu17  1  0.855811  0.168212  0.405164  1
  Cu  Cu18  1  0.397302  0.412371  0.412076  1
  Cu  Cu19  1  0.099963  0.679136  0.391337  1
  Cu  Cu20  1  0.313595  0.923539  0.398323  1
  Cu  Cu21  1  0.367416  0.145336  0.433062  1
  Cu  Cu22  1  0.908616  0.389704  0.439995  1
  Cu  Cu23  1  0.611787  0.656590  0.419169  1
  Cu  Cu24  1  0.825837  0.901008  0.426222  1
  Cu  Cu25  1  0.878982  0.122668  0.460966  1
  Cu  Cu26  1  0.420034  0.366958  0.467900  1
  Cu  Cu27  1  0.123366  0.633923  0.447054  1
  Cu  Cu28  1  0.337773  0.878239  0.454078  1
  Cu  Cu29  1  0.390541  0.099903  0.488859  1
  Cu  Cu30  1  0.931513  0.344253  0.495800  1
  Cu  Cu31  1  0.634869  0.611219  0.474944  1
  Cu  Cu32  1  0.849505  0.855525  0.481958  1
  Cu  Cu33  1  0.902076  0.077165  0.516753  1
  Cu  Cu34  1  0.443056  0.321532  0.523686  1
  Cu  Cu35  1  0.146368  0.588495  0.502837  1
  Cu  Cu36  1  0.361137  0.832795  0.509845  1
  Cu  Cu37  1  0.413614  0.054446  0.544647  1
  Cu  Cu38  1  0.954648  0.298844  0.551562  1
  Cu  Cu39  1  0.657848  0.565789  0.530746  1
  Cu  Cu40  1  0.872746  0.810028  0.537732  1
  Cu  Cu41  1  0.925174  0.031678  0.572514  1
  Cu  Cu42  1  0.466462  0.276176  0.579437  1
  Cu  Cu43  1  0.169411  0.543031  0.558654  1
  Cu  Cu44  1  0.384274  0.787338  0.565638  1
  Cu  Cu45  1  0.436623  0.009113  0.600439  1
  Cu  Cu46  1  0.978564  0.253635  0.607247  1
  Cu  Cu47  1  0.680989  0.520360  0.586585  1
  Cu  Cu48  1  0.895814  0.764446  0.593536  1
  Cu  Cu49  1  0.948160  0.986004  0.628198  1
  Cu  Cu50  1  0.491368  0.231344  0.635144  1
  Cu  Cu51  1  0.192955  0.497638  0.614546  1
  Cu  Cu52  1  0.407008  0.741965  0.621445  1
  Cu  Cu53  1  0.460322  0.963638  0.656152  1
  Cu  Cu54  1  0.004452  0.207456  0.662521  1
  Cu  Cu55  1  0.704599  0.475195  0.642419  1
  Cu  Cu56  1  0.917967  0.718850  0.649311  1
  Cu  Cu57  1  0.972982  0.940245  0.683542  1
  Cu  Cu58  1  0.517512  0.186219  0.690162  1
  Cu  Cu59  1  0.216228  0.450961  0.670398  1
  Cu  Cu60  1  0.429477  0.695900  0.677010  1
  Cu  Cu61  1  0.485826  0.920490  0.709911  1
  Cu  Cu62  1  0.033488  0.161503  0.715662  1
  Cu  Cu63  1  0.729735  0.429096  0.696847  1
  Cu  Cu64  1  0.937031  0.674724  0.703298  1
