# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10214196
_cell_length_b   6.34799604
_cell_length_c   46.36764973
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu44
_cell_volume   1145.46987294
_cell_formula_units_Z   44
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  0.018675  0.540762  0.288019  1
  Cu  Cu2  1  0.221396  0.959483  0.306956  1
  Cu  Cu3  1  0.406029  0.317672  0.278866  1
  Cu  Cu4  1  0.617361  0.742428  0.297348  1
  Cu  Cu5  1  0.426957  0.406008  0.328045  1
  Cu  Cu6  1  0.637254  0.855156  0.347185  1
  Cu  Cu7  1  0.828176  0.183287  0.313200  1
  Cu  Cu8  1  0.031170  0.632131  0.338188  1
  Cu  Cu9  1  0.848106  0.287892  0.366886  1
  Cu  Cu10  1  0.066170  0.734460  0.390034  1
  Cu  Cu11  1  0.239010  0.066706  0.358169  1
  Cu  Cu12  1  0.458125  0.513686  0.379170  1
  Cu  Cu13  1  0.282502  0.173418  0.410276  1
  Cu  Cu14  1  0.502000  0.616922  0.431326  1
  Cu  Cu15  1  0.674834  0.955657  0.399559  1
  Cu  Cu16  1  0.891466  0.393712  0.420186  1
  Cu  Cu17  1  0.720379  0.058244  0.452019  1
  Cu  Cu18  1  0.938509  0.498938  0.473000  1
  Cu  Cu19  1  0.111433  0.837897  0.442075  1
  Cu  Cu20  1  0.329106  0.277953  0.462588  1
  Cu  Cu21  1  0.157500  0.941271  0.494301  1
  Cu  Cu22  1  0.375613  0.382055  0.514985  1
  Cu  Cu23  1  0.548329  0.720734  0.483690  1
  Cu  Cu24  1  0.766442  0.161517  0.504375  1
  Cu  Cu25  1  0.594836  0.824835  0.536088  1
  Cu  Cu26  1  0.812510  0.264891  0.556601  1
  Cu  Cu27  1  0.985434  0.603851  0.525676  1
  Cu  Cu28  1  0.203563  0.044545  0.546657  1
  Cu  Cu29  1  0.032476  0.709077  0.578490  1
  Cu  Cu30  1  0.249108  0.147131  0.599117  1
  Cu  Cu31  1  0.421943  0.485867  0.567350  1
  Cu  Cu32  1  0.641440  0.929370  0.588400  1
  Cu  Cu33  1  0.465817  0.589103  0.619506  1
  Cu  Cu34  1  0.684933  0.036083  0.640507  1
  Cu  Cu35  1  0.857772  0.368329  0.608642  1
  Cu  Cu36  1  0.075837  0.814896  0.631790  1
  Cu  Cu37  1  0.892773  0.470658  0.660488  1
  Cu  Cu38  1  0.095766  0.919502  0.685476  1
  Cu  Cu39  1  0.286689  0.247632  0.651491  1
  Cu  Cu40  1  0.496985  0.696781  0.670631  1
  Cu  Cu41  1  0.306582  0.360361  0.701328  1
  Cu  Cu42  1  0.517914  0.785116  0.719810  1
  Cu  Cu43  1  0.702547  0.143305  0.691720  1
  Cu  Cu44  1  0.905267  0.562026  0.710657  1
