# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23772605
_cell_length_b   8.35619953
_cell_length_c   47.49119801
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1681.72432125
_cell_formula_units_Z   72
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  1.004621  0.520081  0.281262  1
  Cu  Cu2  1  0.503571  0.472809  0.302858  1
  Cu  Cu3  1  0.341845  0.206406  0.315449  1
  Cu  Cu4  1  0.848085  0.246281  0.291163  1
  Cu  Cu5  1  0.005865  0.972809  0.302858  1
  Cu  Cu6  1  0.504815  0.020081  0.281262  1
  Cu  Cu7  1  0.167591  0.706406  0.315449  1
  Cu  Cu8  1  0.661351  0.746281  0.291163  1
  Cu  Cu9  1  1.003911  0.432380  0.328571  1
  Cu  Cu10  1  0.505285  0.389460  0.352848  1
  Cu  Cu11  1  0.341887  0.118565  0.365311  1
  Cu  Cu12  1  0.842050  0.159983  0.340016  1
  Cu  Cu13  1  1.004151  0.889460  0.352848  1
  Cu  Cu14  1  0.505525  0.932380  0.328571  1
  Cu  Cu15  1  0.167548  0.618565  0.365311  1
  Cu  Cu16  1  0.667386  0.659983  0.340016  1
  Cu  Cu17  1  0.004735  0.346134  0.378007  1
  Cu  Cu18  1  0.504718  0.303696  0.403044  1
  Cu  Cu19  1  0.342630  0.032300  0.415542  1
  Cu  Cu20  1  0.842173  0.075072  0.390389  1
  Cu  Cu21  1  1.004718  0.803696  0.403044  1
  Cu  Cu22  1  0.504700  0.846134  0.378007  1
  Cu  Cu23  1  0.166806  0.532300  0.415542  1
  Cu  Cu24  1  0.667263  0.575072  0.390389  1
  Cu  Cu25  1  1.004626  0.260720  0.428135  1
  Cu  Cu26  1  0.504628  0.217923  0.453228  1
  Cu  Cu27  1  0.342978  0.946511  0.465762  1
  Cu  Cu28  1  0.842814  0.989394  0.440654  1
  Cu  Cu29  1  0.004808  0.717923  0.453228  1
  Cu  Cu30  1  0.504810  0.760720  0.428135  1
  Cu  Cu31  1  0.166458  0.446511  0.465762  1
  Cu  Cu32  1  0.666621  0.489394  0.440654  1
  Cu  Cu33  1  1.004636  0.175045  0.478329  1
  Cu  Cu34  1  0.504637  0.132172  0.503432  1
  Cu  Cu35  1  0.343151  0.860764  0.515969  1
  Cu  Cu36  1  0.843078  0.903635  0.490868  1
  Cu  Cu37  1  0.004799  0.632172  0.503432  1
  Cu  Cu38  1  0.504800  0.675045  0.478329  1
  Cu  Cu39  1  0.166285  0.360764  0.515969  1
  Cu  Cu40  1  0.666358  0.403635  0.490868  1
  Cu  Cu41  1  1.004625  0.089289  0.528540  1
  Cu  Cu42  1  0.504578  0.046410  0.553652  1
  Cu  Cu43  1  0.343271  0.775069  0.566162  1
  Cu  Cu44  1  0.843209  0.817885  0.541069  1
  Cu  Cu45  1  0.004858  0.546410  0.553652  1
  Cu  Cu46  1  0.504811  0.589289  0.528540  1
  Cu  Cu47  1  0.166164  0.275069  0.566162  1
  Cu  Cu48  1  0.666227  0.317885  0.541069  1
  Cu  Cu49  1  1.004492  1.003447  0.578769  1
  Cu  Cu50  1  0.504287  0.960778  0.603924  1
  Cu  Cu51  1  0.343368  0.689537  0.616289  1
  Cu  Cu52  1  0.843187  0.732118  0.591260  1
  Cu  Cu53  1  0.005149  0.460778  0.603924  1
  Cu  Cu54  1  0.504944  0.503447  0.578769  1
  Cu  Cu55  1  0.166068  0.189537  0.616289  1
  Cu  Cu56  1  0.666249  0.232118  0.591260  1
  Cu  Cu57  1  1.003839  0.916969  0.629030  1
  Cu  Cu58  1  0.504142  0.875738  0.654231  1
  Cu  Cu59  1  0.343814  0.603505  0.665745  1
  Cu  Cu60  1  0.842336  0.646363  0.641495  1
  Cu  Cu61  1  0.005294  0.375738  0.654231  1
  Cu  Cu62  1  0.505597  0.416969  0.629030  1
  Cu  Cu63  1  0.165622  0.103505  0.665745  1
  Cu  Cu64  1  0.667100  0.146363  0.641495  1
  Cu  Cu65  1  1.004080  0.829242  0.679053  1
  Cu  Cu66  1  0.504016  0.789068  0.703052  1
  Cu  Cu67  1  0.336685  0.517860  0.713110  1
  Cu  Cu68  1  0.841167  0.561693  0.691374  1
  Cu  Cu69  1  0.005420  0.289068  0.703052  1
  Cu  Cu70  1  0.505356  0.329242  0.679053  1
  Cu  Cu71  1  0.172751  0.017860  0.713110  1
  Cu  Cu72  1  0.668269  0.061693  0.691374  1
