# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14150809
_cell_length_b   4.85371018
_cell_length_c   45.71119414
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.72504436
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1889.99313615
_cell_formula_units_Z   72
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  0.908056  0.019277  0.278699  1
  Cu  Cu2  1  0.185230  0.962792  0.289477  1
  Cu  Cu3  1  0.463703  0.908759  0.301185  1
  Cu  Cu4  1  0.972220  0.475007  0.287382  1
  Cu  Cu5  1  0.250822  0.422065  0.298616  1
  Cu  Cu6  1  0.532893  0.365958  0.310024  1
  Cu  Cu7  1  0.741813  0.852340  0.312993  1
  Cu  Cu8  1  0.023754  0.799839  0.326189  1
  Cu  Cu9  1  0.304028  0.744410  0.337893  1
  Cu  Cu10  1  0.809795  0.312261  0.323470  1
  Cu  Cu11  1  0.090762  0.255153  0.335579  1
  Cu  Cu12  1  0.370391  0.202381  0.347377  1
  Cu  Cu13  1  0.581491  0.691031  0.350168  1
  Cu  Cu14  1  0.861462  0.637764  0.362376  1
  Cu  Cu15  1  0.142237  0.581297  0.374933  1
  Cu  Cu16  1  0.648811  0.146857  0.359772  1
  Cu  Cu17  1  0.928745  0.093308  0.372625  1
  Cu  Cu18  1  0.209323  0.037500  0.384833  1
  Cu  Cu19  1  0.421547  0.526527  0.387218  1
  Cu  Cu20  1  0.700762  0.472973  0.399489  1
  Cu  Cu21  1  0.980585  0.419104  0.411921  1
  Cu  Cu22  1  0.488455  0.983489  0.397141  1
  Cu  Cu23  1  0.767914  0.929063  0.409545  1
  Cu  Cu24  1  0.047993  0.874614  0.422017  1
  Cu  Cu25  1  0.260397  0.363945  0.424373  1
  Cu  Cu26  1  0.540080  0.309507  0.436706  1
  Cu  Cu27  1  0.819701  0.255360  0.449038  1
  Cu  Cu28  1  0.327763  0.819787  0.434373  1
  Cu  Cu29  1  0.607383  0.765396  0.446722  1
  Cu  Cu30  1  0.887048  0.711185  0.459120  1
  Cu  Cu31  1  0.099378  0.200970  0.461460  1
  Cu  Cu32  1  0.379186  0.146289  0.473844  1
  Cu  Cu33  1  0.658924  0.091843  0.486210  1
  Cu  Cu34  1  0.166805  0.656669  0.471531  1
  Cu  Cu35  1  0.446582  0.602052  0.483898  1
  Cu  Cu36  1  0.726301  0.547623  0.496274  1
  Cu  Cu37  1  0.938553  0.037585  0.498601  1
  Cu  Cu38  1  0.218272  0.983156  0.510977  1
  Cu  Cu39  1  0.498049  0.928539  0.523344  1
  Cu  Cu40  1  0.005930  0.493365  0.508665  1
  Cu  Cu41  1  0.285669  0.438918  0.521031  1
  Cu  Cu42  1  0.565476  0.384238  0.533415  1
  Cu  Cu43  1  0.777807  0.874023  0.535755  1
  Cu  Cu44  1  0.057471  0.819811  0.548153  1
  Cu  Cu45  1  0.337092  0.765421  0.560502  1
  Cu  Cu46  1  0.845153  0.329848  0.545837  1
  Cu  Cu47  1  0.124774  0.275700  0.558169  1
  Cu  Cu48  1  0.404457  0.221262  0.570502  1
  Cu  Cu49  1  0.616861  0.710594  0.572858  1
  Cu  Cu50  1  0.896940  0.656145  0.585330  1
  Cu  Cu51  1  0.176399  0.601719  0.597734  1
  Cu  Cu52  1  0.684270  0.166104  0.582954  1
  Cu  Cu53  1  0.964093  0.112234  0.595386  1
  Cu  Cu54  1  0.243307  0.058681  0.607657  1
  Cu  Cu55  1  0.455531  0.547708  0.610042  1
  Cu  Cu56  1  0.736109  0.491899  0.622250  1
  Cu  Cu57  1  0.016043  0.438351  0.635103  1
  Cu  Cu58  1  0.522617  0.003910  0.619942  1
  Cu  Cu59  1  0.803393  0.947443  0.632499  1
  Cu  Cu60  1  0.083364  0.894176  0.644707  1
  Cu  Cu61  1  0.294463  0.382826  0.647498  1
  Cu  Cu62  1  0.574093  0.330055  0.659296  1
  Cu  Cu63  1  0.855060  0.272947  0.671405  1
  Cu  Cu64  1  0.360827  0.840797  0.656982  1
  Cu  Cu65  1  0.641101  0.785369  0.668686  1
  Cu  Cu66  1  0.923041  0.732867  0.681882  1
  Cu  Cu67  1  0.131961  0.219249  0.684851  1
  Cu  Cu68  1  0.414032  0.163142  0.696259  1
  Cu  Cu69  1  0.692634  0.110201  0.707493  1
  Cu  Cu70  1  0.201152  0.676449  0.693690  1
  Cu  Cu71  1  0.479624  0.622416  0.705398  1
  Cu  Cu72  1  0.756799  0.565931  0.716176  1
