# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55459386
_cell_length_b   4.20034913
_cell_length_c   46.72705056
_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   Cu18
_cell_volume   501.389949612
_cell_formula_units_Z   18
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  1.002801  0.751289  0.317199  1
  Cu  Cu2  1  0.502801  0.251289  0.302893  1
  Cu  Cu3  1  0.502801  0.751289  0.364311  1
  Cu  Cu4  1  1.002801  0.251289  0.348815  1
  Cu  Cu5  1  1.002801  0.751289  0.412312  1
  Cu  Cu6  1  0.502801  0.251289  0.396259  1
  Cu  Cu7  1  0.502801  0.751289  0.460204  1
  Cu  Cu8  1  1.002801  0.251289  0.443976  1
  Cu  Cu9  1  1.002801  0.751289  0.508053  1
  Cu  Cu10  1  0.502801  0.251289  0.491785  1
  Cu  Cu11  1  0.502801  0.751289  0.555863  1
  Cu  Cu12  1  1.002801  0.251289  0.539634  1
  Cu  Cu13  1  1.002801  0.751289  0.603580  1
  Cu  Cu14  1  0.502801  0.251289  0.587527  1
  Cu  Cu15  1  0.502801  0.751289  0.651024  1
  Cu  Cu16  1  1.002801  0.251289  0.635528  1
  Cu  Cu17  1  1.002801  0.751289  0.696945  1
  Cu  Cu18  1  0.502801  0.251289  0.682640  1
