# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10055258
_cell_length_b   11.33821695
_cell_length_c   49.89241898
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu108
_cell_volume   2812.27868199
_cell_formula_units_Z   108
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  0.839223  0.840889  0.315447  1
  Cu  Cu2  1  0.524216  0.210720  0.283374  1
  Cu  Cu3  1  0.680554  0.523276  0.298255  1
  Cu  Cu4  1  0.524216  0.710720  0.283374  1
  Cu  Cu5  1  0.680554  0.023276  0.298255  1
  Cu  Cu6  1  0.839223  0.340889  0.315447  1
  Cu  Cu7  1  0.024216  0.710720  0.283374  1
  Cu  Cu8  1  0.180554  0.023276  0.298255  1
  Cu  Cu9  1  0.339223  0.340889  0.315447  1
  Cu  Cu10  1  0.339223  0.840889  0.315447  1
  Cu  Cu11  1  0.024216  0.210720  0.283374  1
  Cu  Cu12  1  0.180554  0.523276  0.298255  1
  Cu  Cu13  1  0.311795  0.786590  0.364961  1
  Cu  Cu14  1  0.995989  0.154624  0.331645  1
  Cu  Cu15  1  0.154400  0.471595  0.348358  1
  Cu  Cu16  1  0.995989  0.654624  0.331645  1
  Cu  Cu17  1  0.154400  0.971595  0.348358  1
  Cu  Cu18  1  0.311795  0.286590  0.364961  1
  Cu  Cu19  1  0.495989  0.654624  0.331645  1
  Cu  Cu20  1  0.654400  0.971595  0.348358  1
  Cu  Cu21  1  0.811795  0.286590  0.364961  1
  Cu  Cu22  1  0.811795  0.786590  0.364961  1
  Cu  Cu23  1  0.495989  0.154624  0.331645  1
  Cu  Cu24  1  0.654400  0.471595  0.348358  1
  Cu  Cu25  1  0.784959  0.733422  0.415145  1
  Cu  Cu26  1  0.469601  0.102358  0.381762  1
  Cu  Cu27  1  0.627205  0.417748  0.398409  1
  Cu  Cu28  1  0.469601  0.602358  0.381762  1
  Cu  Cu29  1  0.627205  0.917748  0.398409  1
  Cu  Cu30  1  0.784959  0.233422  0.415145  1
  Cu  Cu31  1  0.969601  0.602358  0.381762  1
  Cu  Cu32  1  0.127205  0.917748  0.398409  1
  Cu  Cu33  1  0.284959  0.233422  0.415145  1
  Cu  Cu34  1  0.284959  0.733422  0.415145  1
  Cu  Cu35  1  0.969601  0.102358  0.381762  1
  Cu  Cu36  1  0.127205  0.417748  0.398409  1
  Cu  Cu37  1  0.258000  0.680027  0.465259  1
  Cu  Cu38  1  0.942607  0.048897  0.431844  1
  Cu  Cu39  1  0.100319  0.364489  0.448555  1
  Cu  Cu40  1  0.942607  0.548897  0.431844  1
  Cu  Cu41  1  0.100319  0.864489  0.448555  1
  Cu  Cu42  1  0.258000  0.180027  0.465259  1
  Cu  Cu43  1  0.442607  0.548897  0.431844  1
  Cu  Cu44  1  0.600319  0.864489  0.448555  1
  Cu  Cu45  1  0.758000  0.180027  0.465259  1
  Cu  Cu46  1  0.758000  0.680027  0.465259  1
  Cu  Cu47  1  0.442607  0.048897  0.431844  1
  Cu  Cu48  1  0.600319  0.364489  0.448555  1
  Cu  Cu49  1  0.731072  0.626689  0.515382  1
  Cu  Cu50  1  0.415693  0.995585  0.481969  1
  Cu  Cu51  1  0.573383  0.311137  0.498676  1
  Cu  Cu52  1  0.415693  0.495585  0.481969  1
  Cu  Cu53  1  0.573383  0.811137  0.498676  1
  Cu  Cu54  1  0.731072  0.126689  0.515382  1
  Cu  Cu55  1  0.915693  0.495585  0.481969  1
  Cu  Cu56  1  0.073383  0.811137  0.498676  1
  Cu  Cu57  1  0.231072  0.126689  0.515382  1
  Cu  Cu58  1  0.231072  0.626689  0.515382  1
  Cu  Cu59  1  0.915693  0.995585  0.481969  1
  Cu  Cu60  1  0.073383  0.311137  0.498676  1
  Cu  Cu61  1  0.204158  0.573378  0.565507  1
  Cu  Cu62  1  0.888766  0.942248  0.532092  1
  Cu  Cu63  1  0.046447  0.257785  0.548797  1
  Cu  Cu64  1  0.888766  0.442248  0.532092  1
  Cu  Cu65  1  0.046447  0.757785  0.548797  1
  Cu  Cu66  1  0.204158  0.073378  0.565507  1
  Cu  Cu67  1  0.388766  0.442248  0.532092  1
  Cu  Cu68  1  0.546447  0.757785  0.548797  1
  Cu  Cu69  1  0.704158  0.073378  0.565507  1
  Cu  Cu70  1  0.704158  0.573378  0.565507  1
  Cu  Cu71  1  0.388766  0.942248  0.532092  1
  Cu  Cu72  1  0.546447  0.257785  0.548797  1
  Cu  Cu73  1  0.677165  0.519916  0.615589  1
  Cu  Cu74  1  0.361807  0.888852  0.582206  1
  Cu  Cu75  1  0.519561  0.204526  0.598942  1
  Cu  Cu76  1  0.361807  0.388852  0.582206  1
  Cu  Cu77  1  0.519561  0.704526  0.598942  1
  Cu  Cu78  1  0.677165  0.019916  0.615589  1
  Cu  Cu79  1  0.861807  0.388852  0.582206  1
  Cu  Cu80  1  0.019561  0.704526  0.598942  1
  Cu  Cu81  1  0.177165  0.019916  0.615589  1
  Cu  Cu82  1  0.177165  0.519916  0.615589  1
  Cu  Cu83  1  0.861807  0.888852  0.582206  1
  Cu  Cu84  1  0.019561  0.204526  0.598942  1
  Cu  Cu85  1  0.150777  0.467651  0.665706  1
  Cu  Cu86  1  0.834970  0.835684  0.632390  1
  Cu  Cu87  1  0.992366  0.150679  0.648993  1
  Cu  Cu88  1  0.834970  0.335684  0.632390  1
  Cu  Cu89  1  0.992366  0.650679  0.648993  1
  Cu  Cu90  1  0.150777  0.967651  0.665706  1
  Cu  Cu91  1  0.334970  0.335684  0.632390  1
  Cu  Cu92  1  0.492366  0.650679  0.648993  1
  Cu  Cu93  1  0.650777  0.967651  0.665706  1
  Cu  Cu94  1  0.650777  0.467651  0.665706  1
  Cu  Cu95  1  0.334970  0.835684  0.632390  1
  Cu  Cu96  1  0.492366  0.150679  0.648993  1
  Cu  Cu97  1  0.622549  0.411554  0.713978  1
  Cu  Cu98  1  0.307543  0.781385  0.681905  1
  Cu  Cu99  1  0.466212  0.098998  0.699097  1
  Cu  Cu100  1  0.307543  0.281385  0.681905  1
  Cu  Cu101  1  0.466212  0.598998  0.699097  1
  Cu  Cu102  1  0.622549  0.911554  0.713978  1
  Cu  Cu103  1  0.807543  0.281385  0.681905  1
  Cu  Cu104  1  0.966212  0.598998  0.699097  1
  Cu  Cu105  1  0.122549  0.911554  0.713978  1
  Cu  Cu106  1  0.122549  0.411554  0.713978  1
  Cu  Cu107  1  0.807543  0.781385  0.681905  1
  Cu  Cu108  1  0.966212  0.098998  0.699097  1
