# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04802465
_cell_length_b   8.04050050
_cell_length_c   47.28388953
_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   2997.92795447
_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  0.692900  0.944658  0.304003  1
  Cu  Cu2  1  0.192900  0.444658  0.304003  1
  Cu  Cu3  1  0.108290  0.860011  0.335535  1
  Cu  Cu4  1  0.608290  0.360011  0.335535  1
  Cu  Cu5  1  0.942900  0.694658  0.304003  1
  Cu  Cu6  1  0.442900  0.194658  0.304003  1
  Cu  Cu7  1  0.358290  0.610011  0.335535  1
  Cu  Cu8  1  0.858290  0.110011  0.335535  1
  Cu  Cu9  1  0.650456  0.652054  0.318895  1
  Cu  Cu10  1  0.150456  0.152054  0.318895  1
  Cu  Cu11  1  0.234483  0.736494  0.289894  1
  Cu  Cu12  1  0.734483  0.236494  0.289894  1
  Cu  Cu13  1  0.984483  0.986494  0.289894  1
  Cu  Cu14  1  0.484483  0.486494  0.289894  1
  Cu  Cu15  1  0.400456  0.902054  0.318895  1
  Cu  Cu16  1  0.900456  0.402054  0.318895  1
  Cu  Cu17  1  0.525144  0.776636  0.365834  1
  Cu  Cu18  1  0.025144  0.276636  0.365834  1
  Cu  Cu19  1  0.941030  0.692444  0.397373  1
  Cu  Cu20  1  0.441030  0.192444  0.397373  1
  Cu  Cu21  1  0.775144  0.526636  0.365834  1
  Cu  Cu22  1  0.275144  0.026636  0.365834  1
  Cu  Cu23  1  0.191030  0.442444  0.397373  1
  Cu  Cu24  1  0.691030  0.942444  0.397373  1
  Cu  Cu25  1  0.483137  0.484630  0.382043  1
  Cu  Cu26  1  0.983137  0.984630  0.382043  1
  Cu  Cu27  1  0.066596  0.568201  0.350344  1
  Cu  Cu28  1  0.566596  0.068201  0.350344  1
  Cu  Cu29  1  0.816596  0.818201  0.350344  1
  Cu  Cu30  1  0.316596  0.318201  0.350344  1
  Cu  Cu31  1  0.233137  0.734630  0.382043  1
  Cu  Cu32  1  0.733137  0.234630  0.382043  1
  Cu  Cu33  1  0.357199  0.608488  0.428922  1
  Cu  Cu34  1  0.857199  0.108488  0.428922  1
  Cu  Cu35  1  0.773289  0.524441  0.460155  1
  Cu  Cu36  1  0.273289  0.024441  0.460155  1
  Cu  Cu37  1  0.607199  0.358488  0.428922  1
  Cu  Cu38  1  0.107199  0.858488  0.428922  1
  Cu  Cu39  1  0.023289  0.274441  0.460155  1
  Cu  Cu40  1  0.523289  0.774441  0.460155  1
  Cu  Cu41  1  0.315183  0.316405  0.444457  1
  Cu  Cu42  1  0.815183  0.816405  0.444457  1
  Cu  Cu43  1  0.899247  0.400578  0.413044  1
  Cu  Cu44  1  0.399247  0.900578  0.413044  1
  Cu  Cu45  1  0.649247  0.650578  0.413044  1
  Cu  Cu46  1  0.149247  0.150578  0.413044  1
  Cu  Cu47  1  0.065183  0.566405  0.444457  1
  Cu  Cu48  1  0.565183  0.066405  0.444457  1
  Cu  Cu49  1  0.189282  0.440316  0.491528  1
  Cu  Cu50  1  0.689282  0.940316  0.491528  1
  Cu  Cu51  1  0.605364  0.356269  0.522873  1
  Cu  Cu52  1  0.105364  0.856269  0.522873  1
  Cu  Cu53  1  0.439282  0.190316  0.491528  1
  Cu  Cu54  1  0.939282  0.690316  0.491528  1
  Cu  Cu55  1  0.855364  0.106269  0.522873  1
  Cu  Cu56  1  0.355364  0.606269  0.522873  1
  Cu  Cu57  1  0.147363  0.148330  0.507231  1
  Cu  Cu58  1  0.647363  0.648330  0.507231  1
  Cu  Cu59  1  0.731281  0.232377  0.475886  1
  Cu  Cu60  1  0.231281  0.732377  0.475886  1
  Cu  Cu61  1  0.481281  0.482377  0.475886  1
  Cu  Cu62  1  0.981281  0.982377  0.475886  1
  Cu  Cu63  1  0.897363  0.398330  0.507231  1
  Cu  Cu64  1  0.397363  0.898330  0.507231  1
  Cu  Cu65  1  0.021462  0.272241  0.554301  1
  Cu  Cu66  1  0.521462  0.772241  0.554301  1
  Cu  Cu67  1  0.437397  0.188068  0.585714  1
  Cu  Cu68  1  0.937397  0.688068  0.585714  1
  Cu  Cu69  1  0.271462  0.022241  0.554301  1
  Cu  Cu70  1  0.771462  0.522241  0.554301  1
  Cu  Cu71  1  0.687397  0.938068  0.585714  1
  Cu  Cu72  1  0.187397  0.438068  0.585714  1
  Cu  Cu73  1  0.979446  0.980158  0.569837  1
  Cu  Cu74  1  0.479446  0.480158  0.569837  1
  Cu  Cu75  1  0.563356  0.064205  0.538603  1
  Cu  Cu76  1  0.063356  0.564205  0.538603  1
  Cu  Cu77  1  0.313356  0.314205  0.538603  1
  Cu  Cu78  1  0.813356  0.814205  0.538603  1
  Cu  Cu79  1  0.729446  0.230158  0.569837  1
  Cu  Cu80  1  0.229446  0.730158  0.569837  1
  Cu  Cu81  1  0.853508  0.104016  0.616716  1
  Cu  Cu82  1  0.353508  0.604016  0.616716  1
  Cu  Cu83  1  0.270048  0.020445  0.648415  1
  Cu  Cu84  1  0.770048  0.520445  0.648415  1
  Cu  Cu85  1  0.103508  0.854016  0.616716  1
  Cu  Cu86  1  0.603508  0.354016  0.616716  1
  Cu  Cu87  1  0.520048  0.770445  0.648415  1
  Cu  Cu88  1  0.020048  0.270445  0.648415  1
  Cu  Cu89  1  0.811501  0.812010  0.632925  1
  Cu  Cu90  1  0.311501  0.312010  0.632925  1
  Cu  Cu91  1  0.395614  0.896202  0.601386  1
  Cu  Cu92  1  0.895614  0.396202  0.601386  1
  Cu  Cu93  1  0.145614  0.146202  0.601386  1
  Cu  Cu94  1  0.645614  0.646202  0.601386  1
  Cu  Cu95  1  0.561501  0.062010  0.632925  1
  Cu  Cu96  1  0.061501  0.562010  0.632925  1
  Cu  Cu97  1  0.686189  0.936592  0.679864  1
  Cu  Cu98  1  0.186189  0.436592  0.679864  1
  Cu  Cu99  1  0.102162  0.852152  0.708865  1
  Cu  Cu100  1  0.602162  0.352152  0.708865  1
  Cu  Cu101  1  0.936189  0.686592  0.679864  1
  Cu  Cu102  1  0.436189  0.186592  0.679864  1
  Cu  Cu103  1  0.352162  0.602152  0.708865  1
  Cu  Cu104  1  0.852162  0.102152  0.708865  1
  Cu  Cu105  1  0.643745  0.643988  0.694756  1
  Cu  Cu106  1  0.143745  0.143988  0.694756  1
  Cu  Cu107  1  0.228355  0.728635  0.663223  1
  Cu  Cu108  1  0.728355  0.228635  0.663223  1
  Cu  Cu109  1  0.978355  0.978635  0.663223  1
  Cu  Cu110  1  0.478355  0.478635  0.663223  1
  Cu  Cu111  1  0.393745  0.893988  0.694756  1
  Cu  Cu112  1  0.893745  0.393988  0.694756  1
