# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59640285
_cell_length_b   4.02549540
_cell_length_c   48.47600412
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   506.661875252
_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  0.533042  -0.013784  0.276672  1
  Cu  Cu2  1  0.033042  0.486216  0.276672  1
  Cu  Cu3  1  0.533042  0.486216  0.317557  1
  Cu  Cu4  1  0.033042  0.986216  0.317557  1
  Cu  Cu5  1  0.533042  -0.013784  0.359207  1
  Cu  Cu6  1  0.033042  0.486216  0.359207  1
  Cu  Cu7  1  0.533042  0.486216  0.400976  1
  Cu  Cu8  1  0.033042  0.986216  0.400976  1
  Cu  Cu9  1  0.533042  0.986216  0.442743  1
  Cu  Cu10  1  0.033042  0.486216  0.442743  1
  Cu  Cu11  1  0.533042  0.486216  0.484510  1
  Cu  Cu12  1  1.033042  0.986216  0.484510  1
  Cu  Cu13  1  0.533042  0.986216  0.526277  1
  Cu  Cu14  1  0.033042  0.486216  0.526277  1
  Cu  Cu15  1  0.533042  0.486216  0.568044  1
  Cu  Cu16  1  0.033042  -0.013784  0.568044  1
  Cu  Cu17  1  0.533042  0.986216  0.609813  1
  Cu  Cu18  1  0.033042  0.486216  0.609813  1
  Cu  Cu19  1  0.533042  0.486216  0.651463  1
  Cu  Cu20  1  0.033042  0.986216  0.651463  1
  Cu  Cu21  1  0.533042  0.986216  0.692348  1
  Cu  Cu22  1  0.033042  0.486216  0.692348  1
