# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09996746
_cell_length_b   5.09996746
_cell_length_c   45.98231982
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1035.75328745
_cell_formula_units_Z   40
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  0.833929  0.834525  0.294735  1
  Cu  Cu2  1  0.333929  0.334525  0.294735  1
  Cu  Cu3  1  0.833929  0.334525  0.294735  1
  Cu  Cu4  1  0.333929  0.834525  0.294735  1
  Cu  Cu5  1  0.500596  0.501191  0.340188  1
  Cu  Cu6  1  1.000596  1.001191  0.340188  1
  Cu  Cu7  1  0.500596  1.001191  0.340188  1
  Cu  Cu8  1  1.000596  0.501191  0.340188  1
  Cu  Cu9  1  0.167262  0.167858  0.385579  1
  Cu  Cu10  1  0.667262  0.667858  0.385579  1
  Cu  Cu11  1  0.167262  0.667858  0.385579  1
  Cu  Cu12  1  0.667262  0.167858  0.385579  1
  Cu  Cu13  1  0.833929  0.834525  0.431052  1
  Cu  Cu14  1  0.333929  0.334525  0.431052  1
  Cu  Cu15  1  0.833929  0.334525  0.431052  1
  Cu  Cu16  1  0.333929  0.834525  0.431052  1
  Cu  Cu17  1  0.500596  0.501191  0.476524  1
  Cu  Cu18  1  1.000596  1.001191  0.476524  1
  Cu  Cu19  1  0.500596  1.001191  0.476524  1
  Cu  Cu20  1  1.000596  0.501191  0.476524  1
  Cu  Cu21  1  0.167262  0.167858  0.521996  1
  Cu  Cu22  1  0.667262  0.667858  0.521996  1
  Cu  Cu23  1  0.167262  0.667858  0.521996  1
  Cu  Cu24  1  0.667262  0.167858  0.521996  1
  Cu  Cu25  1  0.833929  0.834525  0.567468  1
  Cu  Cu26  1  0.333929  0.334525  0.567468  1
  Cu  Cu27  1  0.833929  0.334525  0.567468  1
  Cu  Cu28  1  0.333929  0.834525  0.567468  1
  Cu  Cu29  1  0.500596  0.501191  0.612941  1
  Cu  Cu30  1  1.000596  1.001191  0.612941  1
  Cu  Cu31  1  0.500596  1.001191  0.612941  1
  Cu  Cu32  1  1.000596  0.501191  0.612941  1
  Cu  Cu33  1  0.167262  0.167858  0.658333  1
  Cu  Cu34  1  0.667262  0.667858  0.658333  1
  Cu  Cu35  1  0.167262  0.667858  0.658333  1
  Cu  Cu36  1  0.667262  0.167858  0.658333  1
  Cu  Cu37  1  0.833929  0.834525  0.703786  1
  Cu  Cu38  1  0.333929  0.334525  0.703786  1
  Cu  Cu39  1  0.833929  0.334525  0.703786  1
  Cu  Cu40  1  0.333929  0.834525  0.703786  1
