# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20138313
_cell_length_b   11.13270153
_cell_length_c   47.52040380
_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   Cu84
_cell_volume   2222.65970207
_cell_formula_units_Z   84
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  0.251166  0.515179  0.299245  1
  Cu  Cu2  1  0.251166  0.302956  0.279188  1
  Cu  Cu3  1  0.251166  0.910082  0.289109  1
  Cu  Cu4  1  0.751166  0.384910  0.302276  1
  Cu  Cu5  1  0.751166  0.175163  0.282158  1
  Cu  Cu6  1  0.751166  0.780162  0.292564  1
  Cu  Cu7  1  0.251166  0.331637  0.330649  1
  Cu  Cu8  1  0.251166  0.120311  0.309404  1
  Cu  Cu9  1  0.251166  0.726096  0.319762  1
  Cu  Cu10  1  0.751166  0.200393  0.334073  1
  Cu  Cu11  1  0.751166  0.988949  0.312790  1
  Cu  Cu12  1  0.751166  0.594023  0.323252  1
  Cu  Cu13  1  0.251166  0.147659  0.362840  1
  Cu  Cu14  1  0.251166  0.936356  0.341279  1
  Cu  Cu15  1  0.251166  0.542932  0.351906  1
  Cu  Cu16  1  0.751166  0.015361  0.366373  1
  Cu  Cu17  1  0.751166  0.804647  0.344770  1
  Cu  Cu18  1  0.751166  0.410894  0.355516  1
  Cu  Cu19  1  0.251166  0.963834  0.395105  1
  Cu  Cu20  1  0.251166  0.753155  0.373498  1
  Cu  Cu21  1  0.251166  0.358836  0.384289  1
  Cu  Cu22  1  0.751166  0.830990  0.398712  1
  Cu  Cu23  1  0.751166  0.620608  0.377099  1
  Cu  Cu24  1  0.751166  0.226086  0.387953  1
  Cu  Cu25  1  0.251166  0.779843  0.427437  1
  Cu  Cu26  1  0.251166  0.569349  0.405820  1
  Cu  Cu27  1  0.251166  0.174615  0.416666  1
  Cu  Cu28  1  0.751166  0.646897  0.431116  1
  Cu  Cu29  1  0.751166  0.436464  0.409544  1
  Cu  Cu30  1  0.751166  0.041667  0.420322  1
  Cu  Cu31  1  0.251166  0.595701  0.459794  1
  Cu  Cu32  1  0.251166  0.385208  0.438216  1
  Cu  Cu33  1  0.251166  0.990430  0.449022  1
  Cu  Cu34  1  0.751166  0.462739  0.463518  1
  Cu  Cu35  1  0.751166  0.252231  0.441929  1
  Cu  Cu36  1  0.751166  0.857450  0.452702  1
  Cu  Cu37  1  0.251166  0.411514  0.492182  1
  Cu  Cu38  1  0.251166  0.200995  0.470600  1
  Cu  Cu39  1  0.251166  0.806231  0.481382  1
  Cu  Cu40  1  0.751166  0.278528  0.495891  1
  Cu  Cu41  1  0.751166  0.067999  0.474296  1
  Cu  Cu42  1  0.751166  0.673265  0.485094  1
  Cu  Cu43  1  0.251166  0.227302  0.524562  1
  Cu  Cu44  1  0.251166  0.016774  0.502967  1
  Cu  Cu45  1  0.251166  0.622036  0.513764  1
  Cu  Cu46  1  0.751166  0.094306  0.528259  1
  Cu  Cu47  1  0.751166  0.883787  0.506677  1
  Cu  Cu48  1  0.751166  0.489070  0.517476  1
  Cu  Cu49  1  0.251166  0.043071  0.556930  1
  Cu  Cu50  1  0.251166  0.832562  0.535340  1
  Cu  Cu51  1  0.251166  0.437851  0.546157  1
  Cu  Cu52  1  0.751166  0.910094  0.560643  1
  Cu  Cu53  1  0.751166  0.699600  0.539064  1
  Cu  Cu54  1  0.751166  0.304871  0.549837  1
  Cu  Cu55  1  0.251166  0.858837  0.589315  1
  Cu  Cu56  1  0.251166  0.648404  0.567742  1
  Cu  Cu57  1  0.251166  0.253635  0.578537  1
  Cu  Cu58  1  0.751166  0.725953  0.593038  1
  Cu  Cu59  1  0.751166  0.515459  0.571422  1
  Cu  Cu60  1  0.751166  0.120687  0.582193  1
  Cu  Cu61  1  0.251166  0.674694  0.621760  1
  Cu  Cu62  1  0.251166  0.464312  0.600146  1
  Cu  Cu63  1  0.251166  0.069216  0.610905  1
  Cu  Cu64  1  0.751166  0.542146  0.625361  1
  Cu  Cu65  1  0.751166  0.331467  0.603753  1
  Cu  Cu66  1  0.751166  0.936466  0.614570  1
  Cu  Cu67  1  0.251166  0.490654  0.654089  1
  Cu  Cu68  1  0.251166  0.279940  0.632486  1
  Cu  Cu69  1  0.251166  0.884407  0.643343  1
  Cu  Cu70  1  0.751166  0.358945  0.657580  1
  Cu  Cu71  1  0.751166  0.147643  0.636019  1
  Cu  Cu72  1  0.751166  0.752369  0.646953  1
  Cu  Cu73  1  0.251166  0.306352  0.686068  1
  Cu  Cu74  1  0.251166  0.094909  0.664786  1
  Cu  Cu75  1  0.251166  0.701279  0.675606  1
  Cu  Cu76  1  0.751166  0.174991  0.689455  1
  Cu  Cu77  1  0.751166  0.963664  0.668209  1
  Cu  Cu78  1  0.751166  0.569205  0.679097  1
  Cu  Cu79  1  0.251166  0.120138  0.716700  1
  Cu  Cu80  1  0.251166  0.910391  0.696583  1
  Cu  Cu81  1  0.251166  0.515139  0.706294  1
  Cu  Cu82  1  0.751166  0.992345  0.719670  1
  Cu  Cu83  1  0.751166  0.780122  0.699614  1
  Cu  Cu84  1  0.751166  0.385219  0.709750  1
