# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42130595
_cell_length_b   3.60179900
_cell_length_c   31.35433033
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99998485
_cell_angle_gamma   65.96322812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu38
_cell_volume   456.00912094
_cell_formula_units_Z   38
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  Cu0  1  0.400107  0.299947  0.724218  1
  Cu  Cu1  1  0.200321  0.899840  0.672232  1
  Cu  Cu2  1  0.597009  0.201497  0.906488  1
  Cu  Cu3  1  0.599091  0.200454  0.646760  1
  Cu  Cu4  1  0.800515  0.599742  0.698149  1
  Cu  Cu5  1  0.000000  0.000000  0.750000  1
  Cu  Cu6  1  0.199485  0.400258  0.801851  1
  Cu  Cu7  1  0.400909  0.799546  0.853240  1
  Cu  Cu8  1  0.402991  0.798503  0.593512  1
  Cu  Cu9  1  0.799679  0.100160  0.827768  1
  Cu  Cu10  1  0.995808  0.502097  0.879439  1
  Cu  Cu11  1  0.004192  0.497903  0.620561  1
  Cu  Cu12  1  0.599893  0.700053  0.775782  1
  Cu  Cu13  1  0.199485  0.400258  0.198149  1
  Cu  Cu14  1  0.599893  0.700053  0.224218  1
  Cu  Cu15  1  0.000000  0.000000  0.250000  1
  Cu  Cu16  1  0.799679  0.100160  0.172232  1
  Cu  Cu17  1  0.402991  0.798503  0.406488  1
  Cu  Cu18  1  0.400909  0.799546  0.146760  1
  Cu  Cu19  1  0.599091  0.200454  0.353240  1
  Cu  Cu20  1  0.597009  0.201497  0.093512  1
  Cu  Cu21  1  0.004192  0.497903  0.379439  1
  Cu  Cu22  1  0.995808  0.502097  0.120561  1
  Cu  Cu23  1  0.200321  0.899840  0.327768  1
  Cu  Cu24  1  0.400107  0.299947  0.275782  1
  Cu  Cu25  1  0.800515  0.599742  0.301851  1
  Cu  Cu26  1  0.410238  0.294881  0.000000  1
  Cu  Cu27  1  0.782036  0.608983  0.042495  1
  Cu  Cu28  1  0.202957  0.898521  0.070964  1
  Cu  Cu29  1  0.202957  0.898521  0.929036  1
  Cu  Cu30  1  0.782036  0.608983  0.957505  1
  Cu  Cu31  1  0.011773  0.994115  0.000000  1
  Cu  Cu32  1  0.589762  0.705119  0.500000  1
  Cu  Cu33  1  0.988227  0.005885  0.500000  1
  Cu  Cu34  1  0.797043  0.101479  0.429036  1
  Cu  Cu35  1  0.217964  0.391017  0.457505  1
  Cu  Cu36  1  0.217964  0.391017  0.542495  1
  Cu  Cu37  1  0.797043  0.101479  0.570964  1
