# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54694210
_cell_length_b   4.14628940
_cell_length_c   48.74868586
_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   514.803626313
_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  1.001787  0.251935  0.302359  1
  Cu  Cu2  1  0.501787  0.751935  0.288329  1
  Cu  Cu3  1  0.501787  0.251935  0.347513  1
  Cu  Cu4  1  1.001787  0.751935  0.332751  1
  Cu  Cu5  1  1.001787  0.251935  0.393177  1
  Cu  Cu6  1  0.501787  0.751935  0.378008  1
  Cu  Cu7  1  0.501787  0.251935  0.438791  1
  Cu  Cu8  1  1.001787  0.751935  0.423496  1
  Cu  Cu9  1  1.001787  0.251935  0.484376  1
  Cu  Cu10  1  0.501787  0.751935  0.469040  1
  Cu  Cu11  1  0.501787  0.251935  0.529945  1
  Cu  Cu12  1  1.001787  0.751935  0.514608  1
  Cu  Cu13  1  1.001787  0.251935  0.575489  1
  Cu  Cu14  1  0.501787  0.751935  0.560194  1
  Cu  Cu15  1  0.501787  0.251935  0.620977  1
  Cu  Cu16  1  1.001787  0.751935  0.605808  1
  Cu  Cu17  1  1.001787  0.251935  0.666234  1
  Cu  Cu18  1  0.501787  0.751935  0.651472  1
  Cu  Cu19  1  0.501787  0.251935  0.710656  1
  Cu  Cu20  1  1.001787  0.751935  0.696626  1
