# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55091074
_cell_length_b   7.95841036
_cell_length_c   49.93244530
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.24393700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu36
_cell_volume   1000.52388635
_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  0.839626  0.673078  0.307196  1
  Cu  Cu2  1  0.221794  0.437189  0.330836  1
  Cu  Cu3  1  0.602108  0.197818  0.353693  1
  Cu  Cu4  1  0.452345  0.897984  0.333620  1
  Cu  Cu5  1  0.692043  0.377093  0.289017  1
  Cu  Cu6  1  0.071682  0.136644  0.310801  1
  Cu  Cu7  1  0.983108  0.959822  0.377549  1
  Cu  Cu8  1  0.363860  0.721257  0.401750  1
  Cu  Cu9  1  0.744271  0.482035  0.425654  1
  Cu  Cu10  1  0.594265  0.181640  0.405521  1
  Cu  Cu11  1  0.834055  0.661247  0.357878  1
  Cu  Cu12  1  0.213821  0.420775  0.381829  1
  Cu  Cu13  1  0.124787  0.243032  0.449466  1
  Cu  Cu14  1  0.505399  0.004215  0.473395  1
  Cu  Cu15  1  0.885994  0.765360  0.497323  1
  Cu  Cu16  1  0.736278  0.465529  0.477276  1
  Cu  Cu17  1  0.975185  0.943426  0.429439  1
  Cu  Cu18  1  0.355792  0.704596  0.453392  1
  Cu  Cu19  1  0.266567  0.526465  0.521205  1
  Cu  Cu20  1  0.647053  0.287398  0.545089  1
  Cu  Cu21  1  0.027660  0.048568  0.569041  1
  Cu  Cu22  1  0.878058  0.748962  0.549014  1
  Cu  Cu23  1  0.116851  0.226635  0.501158  1
  Cu  Cu24  1  0.497446  0.987780  0.525086  1
  Cu  Cu25  1  0.408580  0.810354  0.592960  1
  Cu  Cu26  1  0.789023  0.571219  0.616652  1
  Cu  Cu27  1  0.168790  0.330747  0.640602  1
  Cu  Cu28  1  0.019736  0.032172  0.620932  1
  Cu  Cu29  1  0.258574  0.509959  0.572826  1
  Cu  Cu30  1  0.638985  0.270737  0.596731  1
  Cu  Cu31  1  0.550499  0.094010  0.664860  1
  Cu  Cu32  1  0.931162  0.855350  0.687680  1
  Cu  Cu33  1  0.310802  0.614901  0.709464  1
  Cu  Cu34  1  0.163218  0.318916  0.691285  1
  Cu  Cu35  1  0.400737  0.794176  0.644788  1
  Cu  Cu36  1  0.781051  0.554805  0.667644  1
