# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54775803
_cell_length_b   4.91099595
_cell_length_c   47.42463496
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.90705612
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   572.909661306
_cell_formula_units_Z   22
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  0.634110  0.242158  0.286923  1
  Cu  Cu2  1  0.900722  0.707499  0.293063  1
  Cu  Cu3  1  0.242767  0.024268  0.327462  1
  Cu  Cu4  1  0.509530  0.489816  0.333934  1
  Cu  Cu5  1  0.851608  0.806241  0.369050  1
  Cu  Cu6  1  0.118322  0.272026  0.375725  1
  Cu  Cu7  1  0.460547  0.588105  0.410888  1
  Cu  Cu8  1  0.727411  0.053591  0.417470  1
  Cu  Cu9  1  0.069708  0.369528  0.452672  1
  Cu  Cu10  1  0.336483  0.835187  0.459246  1
  Cu  Cu11  1  0.678819  0.151048  0.494457  1
  Cu  Cu12  1  0.945593  0.616708  0.501027  1
  Cu  Cu13  1  0.287929  0.932569  0.536238  1
  Cu  Cu14  1  0.554704  0.398228  0.542812  1
  Cu  Cu15  1  0.897001  0.714165  0.578014  1
  Cu  Cu16  1  0.163865  0.179651  0.584596  1
  Cu  Cu17  1  0.506090  0.495730  0.619759  1
  Cu  Cu18  1  0.772804  0.961516  0.626434  1
  Cu  Cu19  1  0.114882  0.277941  0.661550  1
  Cu  Cu20  1  0.381645  0.743488  0.668022  1
  Cu  Cu21  1  0.723690  0.060257  0.702420  1
  Cu  Cu22  1  0.990302  0.525598  0.708561  1
