# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31982171
_cell_length_b   6.71824606
_cell_length_c   45.38362450
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2536.6999662
_cell_formula_units_Z   96
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  0.500485  0.283099  0.298286  1
  Cu  Cu2  1  0.501264  0.927462  0.317303  1
  Cu  Cu3  1  0.501887  0.644599  0.281582  1
  Cu  Cu4  1  0.251556  0.061170  0.292463  1
  Cu  Cu5  1  0.251556  0.704355  0.310563  1
  Cu  Cu6  1  0.251556  0.349964  0.328412  1
  Cu  Cu7  1  0.002627  0.283099  0.298286  1
  Cu  Cu8  1  0.001849  0.927462  0.317303  1
  Cu  Cu9  1  1.001226  0.644599  0.281582  1
  Cu  Cu10  1  0.751556  0.146452  0.323369  1
  Cu  Cu11  1  0.751556  0.861049  0.287086  1
  Cu  Cu12  1  0.751556  0.500817  0.304661  1
  Cu  Cu13  1  0.501123  0.212068  0.354014  1
  Cu  Cu14  1  0.501553  0.854395  0.372705  1
  Cu  Cu15  1  0.502494  0.568096  0.335872  1
  Cu  Cu16  1  0.251556  0.993579  0.347661  1
  Cu  Cu17  1  0.251556  0.636495  0.366104  1
  Cu  Cu18  1  0.251556  0.280431  0.384544  1
  Cu  Cu19  1  0.001989  0.212068  0.354014  1
  Cu  Cu20  1  0.001560  0.854395  0.372705  1
  Cu  Cu21  1  1.000618  0.568096  0.335872  1
  Cu  Cu22  1  0.751556  0.071450  0.378902  1
  Cu  Cu23  1  0.751556  0.786280  0.341850  1
  Cu  Cu24  1  0.751556  0.428825  0.360569  1
  Cu  Cu25  1  0.501508  0.140103  0.409672  1
  Cu  Cu26  1  0.501550  0.782993  0.428290  1
  Cu  Cu27  1  0.501506  0.497128  0.391310  1
  Cu  Cu28  1  0.251556  0.923204  0.403278  1
  Cu  Cu29  1  0.251556  0.566258  0.421827  1
  Cu  Cu30  1  0.251556  0.209305  0.440303  1
  Cu  Cu31  1  0.001605  0.140103  0.409672  1
  Cu  Cu32  1  0.001562  0.782993  0.428290  1
  Cu  Cu33  1  0.001606  0.497128  0.391310  1
  Cu  Cu34  1  0.751556  0.999564  0.434600  1
  Cu  Cu35  1  0.751556  0.714107  0.397544  1
  Cu  Cu36  1  0.751556  0.356571  0.416136  1
  Cu  Cu37  1  0.501553  0.068743  0.465316  1
  Cu  Cu38  1  0.501561  0.711578  0.483880  1
  Cu  Cu39  1  0.501547  0.425727  0.446841  1
  Cu  Cu40  1  0.251556  0.852201  0.458922  1
  Cu  Cu41  1  0.251556  0.495049  0.477467  1
  Cu  Cu42  1  0.251556  0.138028  0.495965  1
  Cu  Cu43  1  0.001559  0.068743  0.465316  1
  Cu  Cu44  1  1.001551  0.711578  0.483880  1
  Cu  Cu45  1  0.001565  0.425727  0.446841  1
  Cu  Cu46  1  0.751556  0.928082  0.490249  1
  Cu  Cu47  1  0.751556  0.642325  0.453174  1
  Cu  Cu48  1  0.751556  0.285126  0.471752  1
  Cu  Cu49  1  0.501585  0.997388  0.520936  1
  Cu  Cu50  1  0.501589  0.640268  0.539488  1
  Cu  Cu51  1  0.501570  0.354426  0.502445  1
  Cu  Cu52  1  0.251556  0.780830  0.514534  1
  Cu  Cu53  1  0.251556  0.423660  0.533097  1
  Cu  Cu54  1  0.251556  0.066573  0.551554  1
  Cu  Cu55  1  1.001527  0.997388  0.520936  1
  Cu  Cu56  1  1.001523  0.640268  0.539488  1
  Cu  Cu57  1  1.001542  0.354426  0.502445  1
  Cu  Cu58  1  0.751556  0.856922  0.545894  1
  Cu  Cu59  1  0.751556  0.570971  0.508804  1
  Cu  Cu60  1  0.751556  0.213842  0.527395  1
  Cu  Cu61  1  0.501633  0.926189  0.576559  1
  Cu  Cu62  1  0.501633  0.568869  0.595094  1
  Cu  Cu63  1  0.501597  0.283062  0.558085  1
  Cu  Cu64  1  0.251556  0.709265  0.570128  1
  Cu  Cu65  1  0.251556  0.351831  0.588714  1
  Cu  Cu66  1  0.251556  0.994942  0.607063  1
  Cu  Cu67  1  1.001479  0.926189  0.576559  1
  Cu  Cu68  1  1.001479  0.568869  0.595094  1
  Cu  Cu69  1  1.001515  0.283062  0.558085  1
  Cu  Cu70  1  0.751556  0.785978  0.601517  1
  Cu  Cu71  1  0.751556  0.499794  0.564429  1
  Cu  Cu72  1  0.751556  0.142852  0.583100  1
  Cu  Cu73  1  0.501871  0.854709  0.632157  1
  Cu  Cu74  1  0.501760  0.498305  0.650790  1
  Cu  Cu75  1  0.501624  0.211874  0.613824  1
  Cu  Cu76  1  0.251556  0.636602  0.625661  1
  Cu  Cu77  1  0.251556  0.279654  0.644411  1
  Cu  Cu78  1  0.251556  0.921186  0.662179  1
  Cu  Cu79  1  1.001242  0.854709  0.632157  1
  Cu  Cu80  1  1.001352  0.498305  0.650790  1
  Cu  Cu81  1  1.001488  0.211874  0.613824  1
  Cu  Cu82  1  0.751556  0.716650  0.657192  1
  Cu  Cu83  1  0.751556  0.429236  0.620076  1
  Cu  Cu84  1  0.751556  0.072009  0.638867  1
  Cu  Cu85  1  0.502535  0.785155  0.688003  1
  Cu  Cu86  1  0.501007  0.425399  0.705696  1
  Cu  Cu87  1  0.500641  0.139429  0.669557  1
  Cu  Cu88  1  0.251556  0.562878  0.681284  1
  Cu  Cu89  1  0.251556  0.205035  0.699936  1
  Cu  Cu90  1  0.251556  0.849548  0.716167  1
  Cu  Cu91  1  1.000577  0.785155  0.688003  1
  Cu  Cu92  1  0.002105  0.425399  0.705696  1
  Cu  Cu93  1  0.002471  0.139429  0.669557  1
  Cu  Cu94  1  0.751556  0.639338  0.711558  1
  Cu  Cu95  1  0.751556  0.358126  0.675472  1
  Cu  Cu96  1  0.751556  0.004681  0.694683  1
