# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72183279
_cell_length_b   4.08955634
_cell_length_c   49.04303438
_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   545.90235713
_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  0.519497  0.988972  0.280781  1
  Cu  Cu2  1  1.019497  0.488972  0.280781  1
  Cu  Cu3  1  0.519497  0.488972  0.322772  1
  Cu  Cu4  1  1.019497  -0.011028  0.322772  1
  Cu  Cu5  1  0.519497  0.988972  0.364335  1
  Cu  Cu6  1  1.019497  0.488972  0.364335  1
  Cu  Cu7  1  0.519497  0.488972  0.405975  1
  Cu  Cu8  1  1.019497  0.988972  0.405975  1
  Cu  Cu9  1  0.519497  0.988972  0.447631  1
  Cu  Cu10  1  1.019497  0.488972  0.447631  1
  Cu  Cu11  1  0.519497  0.488972  0.489287  1
  Cu  Cu12  1  1.019497  0.988972  0.489287  1
  Cu  Cu13  1  0.519497  0.988972  0.530943  1
  Cu  Cu14  1  1.019497  0.488972  0.530943  1
  Cu  Cu15  1  0.519497  0.488972  0.572599  1
  Cu  Cu16  1  1.019497  0.988972  0.572599  1
  Cu  Cu17  1  0.519497  0.988972  0.614239  1
  Cu  Cu18  1  1.019497  0.488972  0.614239  1
  Cu  Cu19  1  0.519497  0.488972  0.655802  1
  Cu  Cu20  1  1.019497  0.988972  0.655802  1
  Cu  Cu21  1  0.519497  0.988972  0.697793  1
  Cu  Cu22  1  0.019497  0.488972  0.697793  1
