# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55086941
_cell_length_b   4.16517298
_cell_length_c   48.76103142
_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   Cu20
_cell_volume   518.076808151
_cell_formula_units_Z   20
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  1.001053  0.250858  0.302337  1
  Cu  Cu2  1  0.501053  0.750858  0.287654  1
  Cu  Cu3  1  0.501053  0.250858  0.347762  1
  Cu  Cu4  1  1.001053  0.750858  0.332667  1
  Cu  Cu5  1  1.001053  0.250858  0.393288  1
  Cu  Cu6  1  0.501053  0.750858  0.378086  1
  Cu  Cu7  1  0.501053  0.250858  0.438794  1
  Cu  Cu8  1  1.001053  0.750858  0.423547  1
  Cu  Cu9  1  1.001053  0.250858  0.484291  1
  Cu  Cu10  1  0.501053  0.750858  0.469028  1
  Cu  Cu11  1  0.501053  0.250858  0.529781  1
  Cu  Cu12  1  1.001053  0.750858  0.514519  1
  Cu  Cu13  1  1.001053  0.250858  0.575262  1
  Cu  Cu14  1  0.501053  0.750858  0.560015  1
  Cu  Cu15  1  0.501053  0.250858  0.620724  1
  Cu  Cu16  1  1.001053  0.750858  0.605521  1
  Cu  Cu17  1  1.001053  0.250858  0.666142  1
  Cu  Cu18  1  0.501053  0.750858  0.651047  1
  Cu  Cu19  1  0.501053  0.250858  0.711155  1
  Cu  Cu20  1  1.001053  0.750858  0.696472  1
