# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55286757
_cell_length_b   7.96556538
_cell_length_c   49.91712963
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.75562342
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu36
_cell_volume   1001.88295965
_cell_formula_units_Z   36
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  0.167826  0.671327  0.307383  1
  Cu  Cu2  1  0.785791  0.435252  0.330921  1
  Cu  Cu3  1  0.405294  0.196243  0.354017  1
  Cu  Cu4  1  0.555143  0.896211  0.333978  1
  Cu  Cu5  1  0.316161  0.373990  0.288855  1
  Cu  Cu6  1  0.935814  0.134914  0.311085  1
  Cu  Cu7  1  0.024222  0.958364  0.377852  1
  Cu  Cu8  1  0.643433  0.719859  0.401982  1
  Cu  Cu9  1  0.262916  0.480835  0.425882  1
  Cu  Cu10  1  0.413022  0.180248  0.405806  1
  Cu  Cu11  1  0.173542  0.659275  0.358133  1
  Cu  Cu12  1  0.793564  0.419207  0.382092  1
  Cu  Cu13  1  0.882306  0.242004  0.449695  1
  Cu  Cu14  1  0.501620  0.003316  0.473598  1
  Cu  Cu15  1  0.120954  0.764597  0.497506  1
  Cu  Cu16  1  0.270829  0.464450  0.477497  1
  Cu  Cu17  1  0.032096  0.942026  0.429694  1
  Cu  Cu18  1  0.651412  0.703337  0.453621  1
  Cu  Cu19  1  0.740304  0.525835  0.521377  1
  Cu  Cu20  1  0.359721  0.286948  0.545253  1
  Cu  Cu21  1  0.979037  0.048259  0.569180  1
  Cu  Cu22  1  0.128828  0.748281  0.549178  1
  Cu  Cu23  1  0.890180  0.225688  0.501368  1
  Cu  Cu24  1  0.509513  0.986969  0.525276  1
  Cu  Cu25  1  0.598112  0.810038  0.593068  1
  Cu  Cu26  1  0.217569  0.571078  0.616782  1
  Cu  Cu27  1  0.837591  0.331010  0.640741  1
  Cu  Cu28  1  0.986912  0.031921  0.621022  1
  Cu  Cu29  1  0.748217  0.509450  0.572991  1
  Cu  Cu30  1  0.367701  0.270426  0.596892  1
  Cu  Cu31  1  0.455990  0.094074  0.664896  1
  Cu  Cu32  1  0.075319  0.855371  0.687788  1
  Cu  Cu33  1  0.694972  0.616295  0.710019  1
  Cu  Cu34  1  0.843307  0.318958  0.691491  1
  Cu  Cu35  1  0.605839  0.794042  0.644857  1
  Cu  Cu36  1  0.225342  0.555033  0.667953  1
