# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24882340
_cell_length_b   4.66886496
_cell_length_c   46.55737707
_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   Cu40
_cell_volume   923.567193975
_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  0.173430  0.033026  0.283071  1
  Cu  Cu2  1  0.674237  0.899000  0.302978  1
  Cu  Cu3  1  0.333597  0.533026  0.283071  1
  Cu  Cu4  1  0.832789  0.399000  0.302978  1
  Cu  Cu5  1  0.171260  0.759023  0.326707  1
  Cu  Cu6  1  0.671305  0.624107  0.348438  1
  Cu  Cu7  1  0.335766  0.259023  0.326707  1
  Cu  Cu8  1  0.835722  0.124107  0.348438  1
  Cu  Cu9  1  0.170834  0.485749  0.371756  1
  Cu  Cu10  1  0.671499  0.349628  0.394260  1
  Cu  Cu11  1  0.336192  0.985749  0.371756  1
  Cu  Cu12  1  0.835528  0.849628  0.394260  1
  Cu  Cu13  1  0.171442  0.212028  0.417262  1
  Cu  Cu14  1  0.671583  0.075352  0.439970  1
  Cu  Cu15  1  0.335585  0.712028  0.417262  1
  Cu  Cu16  1  0.835444  0.575352  0.439970  1
  Cu  Cu17  1  0.171535  0.938106  0.462855  1
  Cu  Cu18  1  0.671560  0.801246  0.485624  1
  Cu  Cu19  1  0.335492  0.438106  0.462855  1
  Cu  Cu20  1  0.835467  0.301246  0.485624  1
  Cu  Cu21  1  0.171560  0.664090  0.508482  1
  Cu  Cu22  1  0.671535  0.527230  0.531250  1
  Cu  Cu23  1  0.335467  0.164090  0.508482  1
  Cu  Cu24  1  0.835492  0.027230  0.531250  1
  Cu  Cu25  1  0.171583  0.389984  0.554135  1
  Cu  Cu26  1  0.671442  0.253307  0.576843  1
  Cu  Cu27  1  0.335444  0.889984  0.554135  1
  Cu  Cu28  1  0.835585  0.753307  0.576843  1
  Cu  Cu29  1  0.171499  0.115708  0.599846  1
  Cu  Cu30  1  0.670834  0.979587  0.622350  1
  Cu  Cu31  1  0.335528  0.615708  0.599846  1
  Cu  Cu32  1  0.836192  0.479587  0.622350  1
  Cu  Cu33  1  0.171305  0.841229  0.645668  1
  Cu  Cu34  1  0.671260  0.706313  0.667399  1
  Cu  Cu35  1  0.335722  0.341229  0.645668  1
  Cu  Cu36  1  0.835766  0.206313  0.667399  1
  Cu  Cu37  1  0.174237  0.566336  0.691128  1
  Cu  Cu38  1  0.673430  0.432310  0.711034  1
  Cu  Cu39  1  0.332789  0.066336  0.691128  1
  Cu  Cu40  1  0.833597  0.932310  0.711034  1
