# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55566264
_cell_length_b   4.84068842
_cell_length_c   46.87489413
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.16787862
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   559.695439333
_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  0.055538  0.611076  0.307262  1
  Cu  Cu2  1  0.378288  0.256574  0.276979  1
  Cu  Cu3  1  0.448006  0.395602  0.349663  1
  Cu  Cu4  1  0.782466  0.065201  0.317369  1
  Cu  Cu5  1  0.837972  0.175312  0.391851  1
  Cu  Cu6  1  0.175696  0.851816  0.357893  1
  Cu  Cu7  1  0.228355  0.955991  0.433896  1
  Cu  Cu8  1  0.567836  0.636190  0.399344  1
  Cu  Cu9  1  0.618795  0.736833  0.475840  1
  Cu  Cu10  1  0.958923  0.418397  0.441072  1
  Cu  Cu11  1  0.009336  0.517899  0.517739  1
  Cu  Cu12  1  0.349627  0.199808  0.482919  1
  Cu  Cu13  1  0.400040  0.299309  0.559586  1
  Cu  Cu14  1  0.740167  0.980874  0.524818  1
  Cu  Cu15  1  0.791126  0.081516  0.601314  1
  Cu  Cu16  1  0.130608  0.761716  0.566762  1
  Cu  Cu17  1  0.183266  0.865890  0.642765  1
  Cu  Cu18  1  0.520991  0.542394  0.608807  1
  Cu  Cu19  1  0.576497  0.652505  0.683289  1
  Cu  Cu20  1  0.910956  0.322104  0.650994  1
  Cu  Cu21  1  0.980674  0.461132  0.723679  1
  Cu  Cu22  1  0.303425  0.106631  0.693396  1
