# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.38549759
_cell_length_b   6.75634991
_cell_length_c   45.50824083
_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   2578.28558216
_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  0.501503  0.281768  0.300681  1
  Cu  Cu2  1  0.501466  0.926059  0.318482  1
  Cu  Cu3  1  0.502300  0.639283  0.284003  1
  Cu  Cu4  1  0.251724  0.065295  0.294928  1
  Cu  Cu5  1  0.251724  0.709356  0.312361  1
  Cu  Cu6  1  0.251724  0.355460  0.329650  1
  Cu  Cu7  1  0.001945  0.281768  0.300681  1
  Cu  Cu8  1  0.001982  0.926059  0.318482  1
  Cu  Cu9  1  1.001149  0.639283  0.284003  1
  Cu  Cu10  1  0.751724  0.140567  0.324507  1
  Cu  Cu11  1  0.751724  0.849617  0.289215  1
  Cu  Cu12  1  0.751724  0.494515  0.306533  1
  Cu  Cu13  1  0.501119  0.211111  0.355110  1
  Cu  Cu14  1  0.501581  0.854394  0.373828  1
  Cu  Cu15  1  0.502425  0.568302  0.337140  1
  Cu  Cu16  1  0.251724  0.996574  0.348917  1
  Cu  Cu17  1  0.251724  0.638283  0.367469  1
  Cu  Cu18  1  0.251724  0.281624  0.385809  1
  Cu  Cu19  1  0.002329  0.211111  0.355110  1
  Cu  Cu20  1  0.001867  0.854394  0.373828  1
  Cu  Cu21  1  1.001023  0.568302  0.337140  1
  Cu  Cu22  1  0.751724  0.069524  0.380097  1
  Cu  Cu23  1  0.751724  0.782495  0.342883  1
  Cu  Cu24  1  0.751724  0.425121  0.361605  1
  Cu  Cu25  1  0.501734  0.140121  0.410901  1
  Cu  Cu26  1  0.501760  0.783003  0.429557  1
  Cu  Cu27  1  0.501847  0.496893  0.392469  1
  Cu  Cu28  1  0.251724  0.924221  0.404579  1
  Cu  Cu29  1  0.251724  0.566736  0.423162  1
  Cu  Cu30  1  0.251724  0.209676  0.441698  1
  Cu  Cu31  1  1.001715  0.140121  0.410901  1
  Cu  Cu32  1  1.001689  0.783003  0.429557  1
  Cu  Cu33  1  1.001602  0.496893  0.392469  1
  Cu  Cu34  1  0.751724  0.999075  0.435947  1
  Cu  Cu35  1  0.751724  0.712802  0.398689  1
  Cu  Cu36  1  0.751724  0.355910  0.417426  1
  Cu  Cu37  1  0.501740  0.068790  0.466723  1
  Cu  Cu38  1  0.501738  0.711683  0.485340  1
  Cu  Cu39  1  0.501746  0.425801  0.448178  1
  Cu  Cu40  1  0.251724  0.852463  0.460334  1
  Cu  Cu41  1  0.251724  0.495279  0.478926  1
  Cu  Cu42  1  0.251724  0.138214  0.497492  1
  Cu  Cu43  1  1.001708  0.068790  0.466723  1
  Cu  Cu44  1  1.001710  0.711683  0.485340  1
  Cu  Cu45  1  1.001703  0.425801  0.448178  1
  Cu  Cu46  1  0.751724  0.928059  0.491766  1
  Cu  Cu47  1  0.751724  0.642153  0.454554  1
  Cu  Cu48  1  0.751724  0.285049  0.473201  1
  Cu  Cu49  1  0.501722  0.997517  0.522532  1
  Cu  Cu50  1  0.501738  0.640377  0.541136  1
  Cu  Cu51  1  0.501735  0.354539  0.503964  1
  Cu  Cu52  1  0.251724  0.781068  0.516102  1
  Cu  Cu53  1  0.251724  0.423943  0.534712  1
  Cu  Cu54  1  0.251724  0.067004  0.553262  1
  Cu  Cu55  1  0.001727  0.997517  0.522532  1
  Cu  Cu56  1  1.001710  0.640377  0.541136  1
  Cu  Cu57  1  1.001714  0.354539  0.503964  1
  Cu  Cu58  1  0.751724  0.856892  0.547561  1
  Cu  Cu59  1  0.751724  0.571005  0.510357  1
  Cu  Cu60  1  0.751724  0.213861  0.528997  1
  Cu  Cu61  1  0.501694  0.926299  0.578329  1
  Cu  Cu62  1  0.501732  0.569056  0.596946  1
  Cu  Cu63  1  0.501730  0.283243  0.559797  1
  Cu  Cu64  1  0.251724  0.709831  0.571858  1
  Cu  Cu65  1  0.251724  0.352922  0.590528  1
  Cu  Cu66  1  0.251724  0.996480  0.608964  1
  Cu  Cu67  1  0.001754  0.926299  0.578329  1
  Cu  Cu68  1  1.001716  0.569056  0.596946  1
  Cu  Cu69  1  1.001718  0.283243  0.559797  1
  Cu  Cu70  1  0.751724  0.785508  0.603305  1
  Cu  Cu71  1  0.751724  0.499716  0.566110  1
  Cu  Cu72  1  0.751724  0.142455  0.584822  1
  Cu  Cu73  1  0.502279  0.855393  0.634091  1
  Cu  Cu74  1  0.502213  0.497859  0.652689  1
  Cu  Cu75  1  0.501659  0.211892  0.615717  1
  Cu  Cu76  1  0.251724  0.639349  0.627600  1
  Cu  Cu77  1  0.251724  0.283761  0.646389  1
  Cu  Cu78  1  0.251724  0.926404  0.664068  1
  Cu  Cu79  1  1.001170  0.855393  0.634091  1
  Cu  Cu80  1  1.001235  0.497859  0.652689  1
  Cu  Cu81  1  0.001789  0.211892  0.615717  1
  Cu  Cu82  1  0.751724  0.712622  0.658824  1
  Cu  Cu83  1  0.751724  0.428020  0.621777  1
  Cu  Cu84  1  0.751724  0.071014  0.640612  1
  Cu  Cu85  1  0.502197  0.785171  0.689169  1
  Cu  Cu86  1  0.500768  0.430223  0.706536  1
  Cu  Cu87  1  0.500600  0.139201  0.671605  1
  Cu  Cu88  1  0.251724  0.569928  0.683015  1
  Cu  Cu89  1  0.251724  0.215068  0.700752  1
  Cu  Cu90  1  0.251724  0.860175  0.717045  1
  Cu  Cu91  1  1.001252  0.785171  0.689169  1
  Cu  Cu92  1  0.002680  0.430223  0.706536  1
  Cu  Cu93  1  0.002849  0.139201  0.671605  1
  Cu  Cu94  1  0.751724  0.638487  0.711994  1
  Cu  Cu95  1  0.751724  0.354375  0.677228  1
  Cu  Cu96  1  0.751724  0.997944  0.695066  1
