# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54070731
_cell_length_b   8.78111857
_cell_length_c   47.57094712
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.38771463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1049.96755835
_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  0.494099  0.977635  0.273916  1
  Cu  Cu2  1  0.730430  0.451976  0.295507  1
  Cu  Cu3  1  0.358429  0.706399  0.291399  1
  Cu  Cu4  1  0.592952  0.174963  0.312238  1
  Cu  Cu5  1  0.964130  0.917875  0.317817  1
  Cu  Cu6  1  0.197152  0.384399  0.339878  1
  Cu  Cu7  1  0.825554  0.640471  0.335879  1
  Cu  Cu8  1  0.060153  0.109473  0.358016  1
  Cu  Cu9  1  0.431309  0.852229  0.362878  1
  Cu  Cu10  1  0.664917  0.319506  0.385476  1
  Cu  Cu11  1  0.293216  0.575589  0.381272  1
  Cu  Cu12  1  0.527198  0.043429  0.403820  1
  Cu  Cu13  1  0.898646  0.786778  0.408427  1
  Cu  Cu14  1  0.132303  0.254041  0.431142  1
  Cu  Cu15  1  0.760662  0.510274  0.426791  1
  Cu  Cu16  1  0.994451  0.977750  0.449500  1
  Cu  Cu17  1  0.365964  0.721240  0.454010  1
  Cu  Cu18  1  0.599647  0.188524  0.476771  1
  Cu  Cu19  1  0.228042  0.444834  0.472370  1
  Cu  Cu20  1  0.461756  0.912168  0.495132  1
  Cu  Cu21  1  0.833286  0.655697  0.499618  1
  Cu  Cu22  1  0.067001  0.123031  0.522380  1
  Cu  Cu23  1  0.695396  0.379341  0.517978  1
  Cu  Cu24  1  0.929079  0.846625  0.540740  1
  Cu  Cu25  1  0.300591  0.590115  0.545250  1
  Cu  Cu26  1  0.534381  0.057591  0.567959  1
  Cu  Cu27  1  0.162740  0.313824  0.563608  1
  Cu  Cu28  1  0.396397  0.781087  0.586323  1
  Cu  Cu29  1  0.767845  0.524436  0.590930  1
  Cu  Cu30  1  1.001827  0.992276  0.613478  1
  Cu  Cu31  1  0.630126  0.248359  0.609274  1
  Cu  Cu32  1  0.863734  0.715636  0.631871  1
  Cu  Cu33  1  0.234890  0.458392  0.636734  1
  Cu  Cu34  1  0.469488  0.927394  0.658871  1
  Cu  Cu35  1  0.097891  0.183466  0.654871  1
  Cu  Cu36  1  0.330913  0.649990  0.676932  1
  Cu  Cu37  1  0.702091  0.392902  0.682512  1
  Cu  Cu38  1  0.936614  0.861466  0.703351  1
  Cu  Cu39  1  0.564613  0.115889  0.699243  1
  Cu  Cu40  1  0.800944  0.590230  0.720834  1
