# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05987437
_cell_length_b   8.05679111
_cell_length_c   47.26871034
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu112
_cell_volume   3007.45921203
_cell_formula_units_Z   112
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  0.985282  0.986240  0.289300  1
  Cu  Cu2  1  0.485282  0.486240  0.289300  1
  Cu  Cu3  1  0.400058  0.900841  0.319063  1
  Cu  Cu4  1  0.900058  0.400841  0.319063  1
  Cu  Cu5  1  0.650058  0.650841  0.319063  1
  Cu  Cu6  1  0.150058  0.150841  0.319063  1
  Cu  Cu7  1  0.235282  0.736240  0.289300  1
  Cu  Cu8  1  0.735282  0.236240  0.289300  1
  Cu  Cu9  1  0.942744  0.693598  0.303773  1
  Cu  Cu10  1  0.442744  0.193598  0.303773  1
  Cu  Cu11  1  0.357592  0.608413  0.335567  1
  Cu  Cu12  1  0.857592  0.108413  0.335567  1
  Cu  Cu13  1  0.692744  0.943598  0.303773  1
  Cu  Cu14  1  0.192744  0.443598  0.303773  1
  Cu  Cu15  1  0.107592  0.858413  0.335567  1
  Cu  Cu16  1  0.607592  0.358413  0.335567  1
  Cu  Cu17  1  0.815560  0.816334  0.350624  1
  Cu  Cu18  1  0.315560  0.316334  0.350624  1
  Cu  Cu19  1  0.231952  0.732677  0.382280  1
  Cu  Cu20  1  0.731952  0.232677  0.382280  1
  Cu  Cu21  1  0.481952  0.482677  0.382280  1
  Cu  Cu22  1  0.981952  0.982677  0.382280  1
  Cu  Cu23  1  0.065560  0.566334  0.350624  1
  Cu  Cu24  1  0.565560  0.066334  0.350624  1
  Cu  Cu25  1  0.773934  0.524662  0.366222  1
  Cu  Cu26  1  0.273934  0.024662  0.366222  1
  Cu  Cu27  1  0.189976  0.440668  0.397653  1
  Cu  Cu28  1  0.689976  0.940668  0.397653  1
  Cu  Cu29  1  0.523934  0.774662  0.366222  1
  Cu  Cu30  1  0.023934  0.274662  0.366222  1
  Cu  Cu31  1  0.939976  0.690668  0.397653  1
  Cu  Cu32  1  0.439976  0.190668  0.397653  1
  Cu  Cu33  1  0.648222  0.648878  0.413322  1
  Cu  Cu34  1  0.148222  0.148878  0.413322  1
  Cu  Cu35  1  0.064350  0.564959  0.444667  1
  Cu  Cu36  1  0.564350  0.064959  0.444667  1
  Cu  Cu37  1  0.314350  0.314959  0.444667  1
  Cu  Cu38  1  0.814350  0.814959  0.444667  1
  Cu  Cu39  1  0.898222  0.398878  0.413322  1
  Cu  Cu40  1  0.398222  0.898878  0.413322  1
  Cu  Cu41  1  0.606275  0.356913  0.429132  1
  Cu  Cu42  1  0.106275  0.856913  0.429132  1
  Cu  Cu43  1  0.022523  0.273102  0.460350  1
  Cu  Cu44  1  0.522523  0.773102  0.460350  1
  Cu  Cu45  1  0.356275  0.606913  0.429132  1
  Cu  Cu46  1  0.856275  0.106913  0.429132  1
  Cu  Cu47  1  0.772523  0.523102  0.460350  1
  Cu  Cu48  1  0.272523  0.023102  0.460350  1
  Cu  Cu49  1  0.480601  0.481157  0.476047  1
  Cu  Cu50  1  0.980601  0.981157  0.476047  1
  Cu  Cu51  1  0.896842  0.397342  0.507355  1
  Cu  Cu52  1  0.396842  0.897342  0.507355  1
  Cu  Cu53  1  0.146842  0.147342  0.507355  1
  Cu  Cu54  1  0.646842  0.647342  0.507355  1
  Cu  Cu55  1  0.730601  0.231157  0.476047  1
  Cu  Cu56  1  0.230601  0.731157  0.476047  1
  Cu  Cu57  1  0.438688  0.189216  0.491670  1
  Cu  Cu58  1  0.938688  0.689216  0.491670  1
  Cu  Cu59  1  0.854929  0.105402  0.522978  1
  Cu  Cu60  1  0.354929  0.605402  0.522978  1
  Cu  Cu61  1  0.188688  0.439216  0.491670  1
  Cu  Cu62  1  0.688688  0.939216  0.491670  1
  Cu  Cu63  1  0.604929  0.355402  0.522978  1
  Cu  Cu64  1  0.104929  0.855402  0.522978  1
  Cu  Cu65  1  0.313008  0.313457  0.538675  1
  Cu  Cu66  1  0.813008  0.813457  0.538675  1
  Cu  Cu67  1  0.729255  0.229646  0.569892  1
  Cu  Cu68  1  0.229255  0.729646  0.569892  1
  Cu  Cu69  1  0.979255  0.979646  0.569892  1
  Cu  Cu70  1  0.479255  0.479646  0.569892  1
  Cu  Cu71  1  0.563008  0.063457  0.538675  1
  Cu  Cu72  1  0.063008  0.563457  0.538675  1
  Cu  Cu73  1  0.271181  0.021600  0.554358  1
  Cu  Cu74  1  0.771181  0.521600  0.554358  1
  Cu  Cu75  1  0.687309  0.937680  0.585703  1
  Cu  Cu76  1  0.187309  0.437680  0.585703  1
  Cu  Cu77  1  0.021181  0.271600  0.554358  1
  Cu  Cu78  1  0.521181  0.771600  0.554358  1
  Cu  Cu79  1  0.437309  0.187680  0.585703  1
  Cu  Cu80  1  0.937309  0.687680  0.585703  1
  Cu  Cu81  1  0.145554  0.145891  0.601372  1
  Cu  Cu82  1  0.645554  0.645891  0.601372  1
  Cu  Cu83  1  0.561596  0.061897  0.632803  1
  Cu  Cu84  1  0.061596  0.561897  0.632803  1
  Cu  Cu85  1  0.811596  0.811897  0.632803  1
  Cu  Cu86  1  0.311596  0.311897  0.632803  1
  Cu  Cu87  1  0.395554  0.895891  0.601372  1
  Cu  Cu88  1  0.895554  0.395891  0.601372  1
  Cu  Cu89  1  0.103578  0.853882  0.616745  1
  Cu  Cu90  1  0.603578  0.353882  0.616745  1
  Cu  Cu91  1  0.519970  0.770225  0.648401  1
  Cu  Cu92  1  0.019970  0.270225  0.648401  1
  Cu  Cu93  1  0.853578  0.103882  0.616745  1
  Cu  Cu94  1  0.353578  0.603882  0.616745  1
  Cu  Cu95  1  0.269970  0.020225  0.648401  1
  Cu  Cu96  1  0.769970  0.520225  0.648401  1
  Cu  Cu97  1  0.977938  0.978145  0.663457  1
  Cu  Cu98  1  0.477938  0.478145  0.663457  1
  Cu  Cu99  1  0.392786  0.892961  0.695252  1
  Cu  Cu100  1  0.892786  0.392961  0.695252  1
  Cu  Cu101  1  0.642786  0.642961  0.695252  1
  Cu  Cu102  1  0.142786  0.142961  0.695252  1
  Cu  Cu103  1  0.227938  0.728145  0.663457  1
  Cu  Cu104  1  0.727938  0.228145  0.663457  1
  Cu  Cu105  1  0.935472  0.685718  0.679962  1
  Cu  Cu106  1  0.435472  0.185718  0.679962  1
  Cu  Cu107  1  0.350248  0.600319  0.709724  1
  Cu  Cu108  1  0.850248  0.100319  0.709724  1
  Cu  Cu109  1  0.685472  0.935718  0.679962  1
  Cu  Cu110  1  0.185472  0.435718  0.679962  1
  Cu  Cu111  1  0.100248  0.850319  0.709724  1
  Cu  Cu112  1  0.600248  0.350319  0.709724  1
