# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54050178
_cell_length_b   8.68164927
_cell_length_c   47.21074127
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.57250918
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1030.02460978
_cell_formula_units_Z   40
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  0.142881  0.595695  0.278643  1
  Cu  Cu2  1  0.535759  0.809712  0.303361  1
  Cu  Cu3  1  0.907689  0.065648  0.299644  1
  Cu  Cu4  1  0.279594  0.321763  0.295644  1
  Cu  Cu5  1  0.674802  0.531649  0.322827  1
  Cu  Cu6  1  0.068535  0.744159  0.348569  1
  Cu  Cu7  1  0.440760  0.999575  0.344597  1
  Cu  Cu8  1  0.813132  0.254752  0.340650  1
  Cu  Cu9  1  0.207712  0.465748  0.367767  1
  Cu  Cu10  1  0.601737  0.677740  0.394220  1
  Cu  Cu11  1  0.973823  0.933466  0.390160  1
  Cu  Cu12  1  0.345978  0.189076  0.386210  1
  Cu  Cu13  1  0.740380  0.400380  0.413182  1
  Cu  Cu14  1  0.134605  0.611993  0.439845  1
  Cu  Cu15  1  0.506674  0.867769  0.435759  1
  Cu  Cu16  1  0.878780  0.123478  0.431775  1
  Cu  Cu17  1  0.273154  0.334819  0.458684  1
  Cu  Cu18  1  0.667435  0.546325  0.485427  1
  Cu  Cu19  1  0.039470  0.802177  0.481347  1
  Cu  Cu20  1  0.411557  0.057925  0.477338  1
  Cu  Cu21  1  0.805945  0.269233  0.504239  1
  Cu  Cu22  1  0.200226  0.480739  0.530986  1
  Cu  Cu23  1  0.572239  0.736636  0.526918  1
  Cu  Cu24  1  0.944319  0.992400  0.522907  1
  Cu  Cu25  1  0.338753  0.203618  0.549836  1
  Cu  Cu26  1  0.732989  0.415205  0.576511  1
  Cu  Cu27  1  0.104951  0.671206  0.572468  1
  Cu  Cu28  1  0.477040  0.926952  0.568481  1
  Cu  Cu29  1  0.871567  0.138001  0.595504  1
  Cu  Cu30  1  0.265690  0.349798  0.621991  1
  Cu  Cu31  1  0.637674  0.605748  0.617974  1
  Cu  Cu32  1  0.009626  0.861758  0.614061  1
  Cu  Cu33  1  0.404367  0.072425  0.641314  1
  Cu  Cu34  1  0.798082  0.285013  0.667258  1
  Cu  Cu35  1  0.170272  0.540532  0.663441  1
  Cu  Cu36  1  0.542588  0.795769  0.659419  1
  Cu  Cu37  1  0.937460  0.006293  0.686743  1
  Cu  Cu38  1  0.329845  0.221520  0.711587  1
  Cu  Cu39  1  0.702462  0.476144  0.708190  1
  Cu  Cu40  1  0.074699  0.731357  0.704288  1
