# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44253691
_cell_length_b   6.45102854
_cell_length_c   47.07070913
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1916.77985571
_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  0.647847  0.647525  0.298247  1
  Cu  Cu2  1  0.147847  0.147525  0.298247  1
  Cu  Cu3  1  0.022847  0.522525  0.315361  1
  Cu  Cu4  1  0.522847  0.022525  0.315361  1
  Cu  Cu5  1  0.397847  0.397525  0.298247  1
  Cu  Cu6  1  0.897847  0.897525  0.298247  1
  Cu  Cu7  1  0.772847  0.272525  0.315361  1
  Cu  Cu8  1  0.272847  0.772525  0.315361  1
  Cu  Cu9  1  0.522847  0.522525  0.345498  1
  Cu  Cu10  1  0.022847  0.022525  0.345498  1
  Cu  Cu11  1  0.897847  0.397525  0.363820  1
  Cu  Cu12  1  0.397847  0.897525  0.363820  1
  Cu  Cu13  1  0.272847  0.272525  0.345498  1
  Cu  Cu14  1  0.772847  0.772525  0.345498  1
  Cu  Cu15  1  0.647847  0.147525  0.363820  1
  Cu  Cu16  1  0.147847  0.647525  0.363820  1
  Cu  Cu17  1  0.397847  0.397525  0.394302  1
  Cu  Cu18  1  0.897847  0.897525  0.394302  1
  Cu  Cu19  1  0.772847  0.272525  0.413099  1
  Cu  Cu20  1  0.272847  0.772525  0.413099  1
  Cu  Cu21  1  0.147847  0.147525  0.394302  1
  Cu  Cu22  1  0.647847  0.647525  0.394302  1
  Cu  Cu23  1  0.522847  0.022525  0.413099  1
  Cu  Cu24  1  0.022847  0.522525  0.413099  1
  Cu  Cu25  1  0.272847  0.272525  0.443401  1
  Cu  Cu26  1  0.772847  0.772525  0.443401  1
  Cu  Cu27  1  0.647847  0.147525  0.462389  1
  Cu  Cu28  1  0.147847  0.647525  0.462389  1
  Cu  Cu29  1  0.022847  0.022525  0.443401  1
  Cu  Cu30  1  0.522847  0.522525  0.443401  1
  Cu  Cu31  1  0.397847  0.897525  0.462389  1
  Cu  Cu32  1  0.897847  0.397525  0.462389  1
  Cu  Cu33  1  0.147847  0.147525  0.492610  1
  Cu  Cu34  1  0.647847  0.647525  0.492610  1
  Cu  Cu35  1  0.522847  0.022525  0.511646  1
  Cu  Cu36  1  0.022847  0.522525  0.511646  1
  Cu  Cu37  1  0.897847  0.897525  0.492610  1
  Cu  Cu38  1  0.397847  0.397525  0.492610  1
  Cu  Cu39  1  0.272847  0.772525  0.511646  1
  Cu  Cu40  1  0.772847  0.272525  0.511646  1
  Cu  Cu41  1  0.022847  0.022525  0.541867  1
  Cu  Cu42  1  0.522847  0.522525  0.541867  1
  Cu  Cu43  1  0.397847  0.897525  0.560855  1
  Cu  Cu44  1  0.897847  0.397525  0.560855  1
  Cu  Cu45  1  0.772847  0.772525  0.541867  1
  Cu  Cu46  1  0.272847  0.272525  0.541867  1
  Cu  Cu47  1  0.147847  0.647525  0.560855  1
  Cu  Cu48  1  0.647847  0.147525  0.560855  1
  Cu  Cu49  1  0.897847  0.897525  0.591156  1
  Cu  Cu50  1  0.397847  0.397525  0.591156  1
  Cu  Cu51  1  0.272847  0.772525  0.609953  1
  Cu  Cu52  1  0.772847  0.272525  0.609953  1
  Cu  Cu53  1  0.647847  0.647525  0.591156  1
  Cu  Cu54  1  0.147847  0.147525  0.591156  1
  Cu  Cu55  1  0.022847  0.522525  0.609953  1
  Cu  Cu56  1  0.522847  0.022525  0.609953  1
  Cu  Cu57  1  0.772847  0.772525  0.640436  1
  Cu  Cu58  1  0.272847  0.272525  0.640436  1
  Cu  Cu59  1  0.147847  0.647525  0.658757  1
  Cu  Cu60  1  0.647847  0.147525  0.658757  1
  Cu  Cu61  1  0.522847  0.522525  0.640436  1
  Cu  Cu62  1  0.022847  0.022525  0.640436  1
  Cu  Cu63  1  0.897847  0.397525  0.658757  1
  Cu  Cu64  1  0.397847  0.897525  0.658757  1
  Cu  Cu65  1  0.647847  0.647525  0.688894  1
  Cu  Cu66  1  0.147847  0.147525  0.688894  1
  Cu  Cu67  1  0.022847  0.522525  0.706009  1
  Cu  Cu68  1  0.522847  0.022525  0.706009  1
  Cu  Cu69  1  0.397847  0.397525  0.688894  1
  Cu  Cu70  1  0.897847  0.897525  0.688894  1
  Cu  Cu71  1  0.772847  0.272525  0.706009  1
  Cu  Cu72  1  0.272847  0.772525  0.706009  1
