# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56446649
_cell_length_b   4.75028337
_cell_length_c   47.04115863
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.71803693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   552.789798168
_cell_formula_units_Z   22
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  0.469599  0.560815  0.301326  1
  Cu  Cu2  1  0.177454  0.144231  0.274827  1
  Cu  Cu3  1  0.064572  0.370270  0.346170  1
  Cu  Cu4  1  0.744361  0.011937  0.316549  1
  Cu  Cu5  1  0.673570  0.151171  0.389203  1
  Cu  Cu6  1  0.340520  0.819905  0.356502  1
  Cu  Cu7  1  0.285096  0.927155  0.431386  1
  Cu  Cu8  1  0.946710  0.607384  0.397191  1
  Cu  Cu9  1  0.896389  0.703809  0.473347  1
  Cu  Cu10  1  0.556305  0.387720  0.438720  1
  Cu  Cu11  1  0.507503  0.480903  0.515222  1
  Cu  Cu12  1  0.167079  0.165559  0.480504  1
  Cu  Cu13  1  0.118277  0.258742  0.557006  1
  Cu  Cu14  1  0.778193  0.942653  0.522379  1
  Cu  Cu15  1  0.727872  0.039078  0.598535  1
  Cu  Cu16  1  0.389486  0.719307  0.564340  1
  Cu  Cu17  1  0.334062  0.826557  0.639224  1
  Cu  Cu18  1  0.001013  0.495291  0.606523  1
  Cu  Cu19  1  0.930221  0.634525  0.679177  1
  Cu  Cu20  1  0.610010  0.276192  0.649556  1
  Cu  Cu21  1  0.497128  0.502231  0.720899  1
  Cu  Cu22  1  0.204983  0.085647  0.694400  1
