# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54594671
_cell_length_b   4.40970905
_cell_length_c   47.93389411
_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   538.148280259
_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  0.563292  0.943259  0.291294  1
  Cu  Cu2  1  1.063292  0.443259  0.291294  1
  Cu  Cu3  1  0.563292  0.609926  0.334191  1
  Cu  Cu4  1  1.063292  0.109926  0.334191  1
  Cu  Cu5  1  0.563292  0.943259  0.377658  1
  Cu  Cu6  1  1.063292  0.443259  0.377658  1
  Cu  Cu7  1  0.563292  0.609926  0.421209  1
  Cu  Cu8  1  1.063292  0.109926  0.421209  1
  Cu  Cu9  1  0.563292  0.943259  0.464760  1
  Cu  Cu10  1  1.063292  0.443259  0.464760  1
  Cu  Cu11  1  0.563292  0.609926  0.508312  1
  Cu  Cu12  1  1.063292  0.109926  0.508312  1
  Cu  Cu13  1  0.563292  0.943259  0.551924  1
  Cu  Cu14  1  1.063292  0.443259  0.551924  1
  Cu  Cu15  1  0.563292  0.276593  0.595535  1
  Cu  Cu16  1  1.063292  0.776593  0.595535  1
  Cu  Cu17  1  0.563292  0.943259  0.639003  1
  Cu  Cu18  1  1.063292  0.443259  0.639003  1
  Cu  Cu19  1  0.563292  0.276593  0.681901  1
  Cu  Cu20  1  1.063292  0.776593  0.681901  1
