# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54346535
_cell_length_b   16.80519320
_cell_length_c   48.35646406
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.65506136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu80
_cell_volume   2060.98068264
_cell_formula_units_Z   80
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  0.023348  0.895945  0.276487  1
  Cu  Cu2  1  0.777429  0.387592  0.297644  1
  Cu  Cu3  1  0.464538  0.013478  0.295605  1
  Cu  Cu4  1  0.218581  0.505274  0.317834  1
  Cu  Cu5  1  0.900194  0.142100  0.286491  1
  Cu  Cu6  1  0.654153  0.634105  0.308667  1
  Cu  Cu7  1  0.336142  0.270173  0.277988  1
  Cu  Cu8  1  0.089802  0.762815  0.299123  1
  Cu  Cu9  1  0.531688  0.879165  0.320704  1
  Cu  Cu10  1  0.285803  0.370852  0.342493  1
  Cu  Cu11  1  0.973041  0.996450  0.340800  1
  Cu  Cu12  1  0.727282  0.487890  0.363150  1
  Cu  Cu13  1  0.408759  0.124974  0.331326  1
  Cu  Cu14  1  0.163051  0.616337  0.353647  1
  Cu  Cu15  1  0.844498  0.253466  0.322211  1
  Cu  Cu16  1  0.598868  0.744702  0.344188  1
  Cu  Cu17  1  0.040418  0.861663  0.365665  1
  Cu  Cu18  1  0.794425  0.353614  0.388010  1
  Cu  Cu19  1  0.481798  0.978915  0.386449  1
  Cu  Cu20  1  0.235976  0.470513  0.408902  1
  Cu  Cu21  1  0.917460  0.107564  0.376823  1
  Cu  Cu22  1  0.671737  0.598978  0.399228  1
  Cu  Cu23  1  0.353068  0.236327  0.367357  1
  Cu  Cu24  1  0.107468  0.727509  0.389742  1
  Cu  Cu25  1  0.548955  0.844571  0.411073  1
  Cu  Cu26  1  0.303126  0.336214  0.433591  1
  Cu  Cu27  1  0.990409  0.961680  0.432073  1
  Cu  Cu28  1  0.744638  0.453195  0.454556  1
  Cu  Cu29  1  0.426077  0.090325  0.422383  1
  Cu  Cu30  1  0.180334  0.581790  0.444855  1
  Cu  Cu31  1  0.861695  0.219071  0.412748  1
  Cu  Cu32  1  0.616044  0.710359  0.435308  1
  Cu  Cu33  1  0.057538  0.827398  0.456576  1
  Cu  Cu34  1  0.811795  0.318877  0.479176  1
  Cu  Cu35  1  0.499022  0.944447  0.477671  1
  Cu  Cu36  1  0.253275  0.435925  0.500141  1
  Cu  Cu37  1  0.934688  0.073099  0.467964  1
  Cu  Cu38  1  0.688933  0.564594  0.490449  1
  Cu  Cu39  1  0.370329  0.201802  0.458242  1
  Cu  Cu40  1  0.124621  0.693206  0.480876  1
  Cu  Cu41  1  0.566129  0.810213  0.502137  1
  Cu  Cu42  1  0.320448  0.301570  0.524759  1
  Cu  Cu43  1  0.007629  0.927230  0.523261  1
  Cu  Cu44  1  0.761891  0.418693  0.545669  1
  Cu  Cu45  1  0.443303  0.055867  0.513563  1
  Cu  Cu46  1  0.197521  0.547417  0.536011  1
  Cu  Cu47  1  0.878963  0.184532  0.503800  1
  Cu  Cu48  1  0.633198  0.676052  0.526444  1
  Cu  Cu49  1  0.074725  0.793022  0.547743  1
  Cu  Cu50  1  0.829101  0.284263  0.570336  1
  Cu  Cu51  1  0.516227  0.910033  0.568834  1
  Cu  Cu52  1  0.270493  0.401486  0.591123  1
  Cu  Cu53  1  0.951911  0.038652  0.559179  1
  Cu  Cu54  1  0.706086  0.530284  0.581534  1
  Cu  Cu55  1  0.387602  0.167255  0.549407  1
  Cu  Cu56  1  0.141760  0.658923  0.572009  1
  Cu  Cu57  1  0.583327  0.775822  0.593412  1
  Cu  Cu58  1  0.337743  0.266978  0.615909  1
  Cu  Cu59  1  0.024825  0.892839  0.614350  1
  Cu  Cu60  1  0.779031  0.384404  0.636485  1
  Cu  Cu61  1  0.460494  0.021489  0.604808  1
  Cu  Cu62  1  0.214657  0.513133  0.627003  1
  Cu  Cu63  1  0.896239  0.149985  0.595074  1
  Cu  Cu64  1  0.650266  0.641899  0.617565  1
  Cu  Cu65  1  0.091928  0.758627  0.639208  1
  Cu  Cu66  1  0.846230  0.250005  0.661423  1
  Cu  Cu67  1  0.533370  0.875753  0.659644  1
  Cu  Cu68  1  0.287424  0.367612  0.681601  1
  Cu  Cu69  1  0.969112  0.004262  0.650361  1
  Cu  Cu70  1  0.723161  0.496108  0.672431  1
  Cu  Cu71  1  0.404851  0.132768  0.640833  1
  Cu  Cu72  1  0.159025  0.624343  0.662925  1
  Cu  Cu73  1  0.600786  0.740925  0.684640  1
  Cu  Cu74  1  0.354392  0.233684  0.706288  1
  Cu  Cu75  1  0.041870  0.858768  0.703995  1
  Cu  Cu76  1  0.795539  0.351379  0.725825  1
  Cu  Cu77  1  0.477759  0.986989  0.695234  1
  Cu  Cu78  1  0.231518  0.479371  0.717138  1
  Cu  Cu79  1  0.913349  0.115785  0.686149  1
  Cu  Cu80  1  0.667350  0.607601  0.707805  1
