# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54063815
_cell_length_b   8.78113151
_cell_length_c   47.57343494
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.38768918
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1049.99550126
_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  0.494120  0.977645  0.273897  1
  Cu  Cu2  1  0.730444  0.451985  0.295487  1
  Cu  Cu3  1  0.358443  0.706411  0.291378  1
  Cu  Cu4  1  0.592969  0.174974  0.312217  1
  Cu  Cu5  1  0.964147  0.917884  0.317797  1
  Cu  Cu6  1  0.197167  0.384408  0.339857  1
  Cu  Cu7  1  0.825571  0.640482  0.335856  1
  Cu  Cu8  1  0.060174  0.109483  0.357993  1
  Cu  Cu9  1  0.431325  0.852237  0.362857  1
  Cu  Cu10  1  0.664933  0.319513  0.385454  1
  Cu  Cu11  1  0.293233  0.575598  0.381248  1
  Cu  Cu12  1  0.527217  0.043438  0.403795  1
  Cu  Cu13  1  0.898661  0.786784  0.408403  1
  Cu  Cu14  1  0.132319  0.254046  0.431118  1
  Cu  Cu15  1  0.760679  0.510282  0.426765  1
  Cu  Cu16  1  0.994468  0.977757  0.449474  1
  Cu  Cu17  1  0.365980  0.721245  0.453985  1
  Cu  Cu18  1  0.599662  0.188528  0.476746  1
  Cu  Cu19  1  0.228061  0.444840  0.472343  1
  Cu  Cu20  1  0.461772  0.912174  0.495104  1
  Cu  Cu21  1  0.833301  0.655700  0.499592  1
  Cu  Cu22  1  0.067012  0.123033  0.522353  1
  Cu  Cu23  1  0.695410  0.379345  0.517950  1
  Cu  Cu24  1  0.929092  0.846628  0.540710  1
  Cu  Cu25  1  0.300604  0.590116  0.545222  1
  Cu  Cu26  1  0.534393  0.057591  0.567930  1
  Cu  Cu27  1  0.162753  0.313827  0.563578  1
  Cu  Cu28  1  0.396411  0.781089  0.586293  1
  Cu  Cu29  1  0.767855  0.524435  0.590901  1
  Cu  Cu30  1  1.001840  0.992275  0.613448  1
  Cu  Cu31  1  0.630139  0.248360  0.609242  1
  Cu  Cu32  1  0.863748  0.715636  0.631839  1
  Cu  Cu33  1  0.234899  0.458390  0.636703  1
  Cu  Cu34  1  0.469502  0.927391  0.658839  1
  Cu  Cu35  1  0.097906  0.183465  0.654838  1
  Cu  Cu36  1  0.330926  0.649989  0.676899  1
  Cu  Cu37  1  0.702103  0.392899  0.682479  1
  Cu  Cu38  1  0.936629  0.861462  0.703318  1
  Cu  Cu39  1  0.564628  0.115888  0.699208  1
  Cu  Cu40  1  0.800952  0.590228  0.720799  1
