# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54058615
_cell_length_b   8.78111168
_cell_length_c   47.57106054
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.38768934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1049.9192377
_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  0.494133  0.977650  0.273908  1
  Cu  Cu2  1  0.730455  0.451990  0.295500  1
  Cu  Cu3  1  0.358456  0.706417  0.291389  1
  Cu  Cu4  1  0.592982  0.174980  0.312229  1
  Cu  Cu5  1  0.964159  0.917889  0.317811  1
  Cu  Cu6  1  0.197178  0.384412  0.339872  1
  Cu  Cu7  1  0.825583  0.640487  0.335870  1
  Cu  Cu8  1  0.060186  0.109488  0.358008  1
  Cu  Cu9  1  0.431336  0.852240  0.362873  1
  Cu  Cu10  1  0.664944  0.319516  0.385472  1
  Cu  Cu11  1  0.293245  0.575603  0.381264  1
  Cu  Cu12  1  0.527229  0.043442  0.403813  1
  Cu  Cu13  1  0.898672  0.786786  0.408423  1
  Cu  Cu14  1  0.132330  0.254048  0.431139  1
  Cu  Cu15  1  0.760691  0.510285  0.426785  1
  Cu  Cu16  1  0.994480  0.977760  0.449495  1
  Cu  Cu17  1  0.365990  0.721246  0.454008  1
  Cu  Cu18  1  0.599672  0.188529  0.476770  1
  Cu  Cu19  1  0.228072  0.444843  0.472366  1
  Cu  Cu20  1  0.461783  0.912176  0.495128  1
  Cu  Cu21  1  0.833311  0.655700  0.499617  1
  Cu  Cu22  1  0.067022  0.123032  0.522380  1
  Cu  Cu23  1  0.695422  0.379347  0.517975  1
  Cu  Cu24  1  0.929104  0.846629  0.540738  1
  Cu  Cu25  1  0.300614  0.590116  0.545251  1
  Cu  Cu26  1  0.534403  0.057590  0.567960  1
  Cu  Cu27  1  0.162764  0.313827  0.563607  1
  Cu  Cu28  1  0.396422  0.781089  0.586323  1
  Cu  Cu29  1  0.767865  0.524434  0.590932  1
  Cu  Cu30  1  1.001849  0.992272  0.613481  1
  Cu  Cu31  1  0.630150  0.248360  0.609274  1
  Cu  Cu32  1  0.863758  0.715635  0.631872  1
  Cu  Cu33  1  0.234908  0.458388  0.636737  1
  Cu  Cu34  1  0.469511  0.927388  0.658875  1
  Cu  Cu35  1  0.097917  0.183463  0.654873  1
  Cu  Cu36  1  0.330936  0.649987  0.676935  1
  Cu  Cu37  1  0.702112  0.392895  0.682517  1
  Cu  Cu38  1  0.936638  0.861459  0.703356  1
  Cu  Cu39  1  0.564639  0.115885  0.699246  1
  Cu  Cu40  1  0.800961  0.590225  0.720837  1
