# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25366328
_cell_length_b   6.70650504
_cell_length_c   45.44878484
_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   2515.7372404
_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  0.504802  0.283071  0.297049  1
  Cu  Cu2  1  0.503964  0.929034  0.316880  1
  Cu  Cu3  1  0.507494  0.647481  0.281553  1
  Cu  Cu4  1  0.753897  0.061479  0.291363  1
  Cu  Cu5  1  0.753897  0.706637  0.310220  1
  Cu  Cu6  1  0.753897  0.352732  0.327426  1
  Cu  Cu7  1  1.002993  0.283071  0.297049  1
  Cu  Cu8  1  1.003831  0.929034  0.316880  1
  Cu  Cu9  1  1.000301  0.647481  0.281553  1
  Cu  Cu10  1  0.253897  0.147261  0.322514  1
  Cu  Cu11  1  0.253897  0.865542  0.286202  1
  Cu  Cu12  1  0.253897  0.501322  0.303496  1
  Cu  Cu13  1  0.504737  0.213580  0.353244  1
  Cu  Cu14  1  0.503828  0.855744  0.371838  1
  Cu  Cu15  1  0.502797  0.568411  0.335364  1
  Cu  Cu16  1  0.753897  0.996275  0.347061  1
  Cu  Cu17  1  0.753897  0.638720  0.365443  1
  Cu  Cu18  1  0.753897  0.282539  0.383719  1
  Cu  Cu19  1  1.003058  0.213580  0.353244  1
  Cu  Cu20  1  0.003967  0.855744  0.371838  1
  Cu  Cu21  1  0.004998  0.568411  0.335364  1
  Cu  Cu22  1  0.253897  0.072148  0.377915  1
  Cu  Cu23  1  0.253897  0.785480  0.340996  1
  Cu  Cu24  1  0.253897  0.429209  0.359617  1
  Cu  Cu25  1  0.503949  0.141256  0.408839  1
  Cu  Cu26  1  0.503893  0.784128  0.427464  1
  Cu  Cu27  1  0.503828  0.498319  0.390498  1
  Cu  Cu28  1  0.753897  0.924962  0.402543  1
  Cu  Cu29  1  0.753897  0.567622  0.421087  1
  Cu  Cu30  1  0.753897  0.210606  0.439553  1
  Cu  Cu31  1  1.003846  0.141256  0.408839  1
  Cu  Cu32  1  0.003902  0.784128  0.427464  1
  Cu  Cu33  1  0.003967  0.498319  0.390498  1
  Cu  Cu34  1  0.253897  1.000466  0.433731  1
  Cu  Cu35  1  0.253897  0.714926  0.396664  1
  Cu  Cu36  1  0.253897  0.357321  0.415249  1
  Cu  Cu37  1  0.503887  0.069685  0.464518  1
  Cu  Cu38  1  0.503874  0.712453  0.483093  1
  Cu  Cu39  1  0.503863  0.426759  0.446030  1
  Cu  Cu40  1  0.753897  0.853341  0.458181  1
  Cu  Cu41  1  0.753897  0.496060  0.476732  1
  Cu  Cu42  1  0.753897  0.138941  0.495243  1
  Cu  Cu43  1  0.003908  0.069685  0.464518  1
  Cu  Cu44  1  0.003921  0.712453  0.483093  1
  Cu  Cu45  1  0.003932  0.426759  0.446030  1
  Cu  Cu46  1  0.253897  0.928841  0.489432  1
  Cu  Cu47  1  0.253897  0.643193  0.452331  1
  Cu  Cu48  1  0.253897  0.285930  0.470914  1
  Cu  Cu49  1  0.503853  0.998089  0.520175  1
  Cu  Cu50  1  0.503848  0.640863  0.538734  1
  Cu  Cu51  1  0.503868  0.355205  0.501664  1
  Cu  Cu52  1  0.753897  0.781674  0.513816  1
  Cu  Cu53  1  0.753897  0.424443  0.532385  1
  Cu  Cu54  1  0.753897  0.067322  0.550864  1
  Cu  Cu55  1  0.003942  0.998089  0.520175  1
  Cu  Cu56  1  0.003947  0.640863  0.538734  1
  Cu  Cu57  1  0.003927  0.355205  0.501664  1
  Cu  Cu58  1  0.253897  0.857368  0.545108  1
  Cu  Cu59  1  0.253897  0.571630  0.507997  1
  Cu  Cu60  1  0.253897  0.214416  0.526592  1
  Cu  Cu61  1  0.503769  0.926678  0.575827  1
  Cu  Cu62  1  0.503756  0.569193  0.594354  1
  Cu  Cu63  1  0.503832  0.283563  0.557345  1
  Cu  Cu64  1  0.753897  0.710024  0.569445  1
  Cu  Cu65  1  0.753897  0.352680  0.588033  1
  Cu  Cu66  1  0.753897  0.995906  0.606387  1
  Cu  Cu67  1  0.004026  0.926678  0.575827  1
  Cu  Cu68  1  0.004039  0.569193  0.594354  1
  Cu  Cu69  1  0.003963  0.283563  0.557345  1
  Cu  Cu70  1  0.253897  0.786018  0.600752  1
  Cu  Cu71  1  0.253897  0.500088  0.563656  1
  Cu  Cu72  1  0.253897  0.143063  0.582334  1
  Cu  Cu73  1  0.503452  0.854857  0.631412  1
  Cu  Cu74  1  0.503364  0.499274  0.649930  1
  Cu  Cu75  1  0.503718  0.212134  0.613154  1
  Cu  Cu76  1  0.753897  0.637706  0.625032  1
  Cu  Cu77  1  0.753897  0.281108  0.643673  1
  Cu  Cu78  1  0.753897  0.923178  0.661211  1
  Cu  Cu79  1  0.004343  0.854857  0.631412  1
  Cu  Cu80  1  0.004431  0.499274  0.649930  1
  Cu  Cu81  1  0.004077  0.212134  0.613154  1
  Cu  Cu82  1  0.253897  0.716913  0.656261  1
  Cu  Cu83  1  0.253897  0.428863  0.619350  1
  Cu  Cu84  1  0.253897  0.071320  0.638122  1
  Cu  Cu85  1  0.502353  0.786704  0.687218  1
  Cu  Cu86  1  0.504948  0.423724  0.704911  1
  Cu  Cu87  1  0.504695  0.139552  0.668727  1
  Cu  Cu88  1  0.753897  0.563389  0.680280  1
  Cu  Cu89  1  0.753897  0.204230  0.699496  1
  Cu  Cu90  1  0.753897  0.846934  0.714929  1
  Cu  Cu91  1  0.005442  0.786704  0.687218  1
  Cu  Cu92  1  1.002847  0.423724  0.704911  1
  Cu  Cu93  1  1.003100  0.139552  0.668727  1
  Cu  Cu94  1  0.253897  0.638507  0.710503  1
  Cu  Cu95  1  0.253897  0.358053  0.674495  1
  Cu  Cu96  1  0.253897  0.008754  0.694949  1
