# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54776253
_cell_length_b   4.91103420
_cell_length_c   47.42325367
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.09298096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   572.898348848
_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  0.874184  0.242145  0.286933  1
  Cu  Cu2  1  0.607568  0.707485  0.293074  1
  Cu  Cu3  1  0.265524  0.024256  0.327473  1
  Cu  Cu4  1  0.998758  0.489802  0.333945  1
  Cu  Cu5  1  0.656679  0.806226  0.369062  1
  Cu  Cu6  1  0.389966  0.272011  0.375737  1
  Cu  Cu7  1  0.047741  0.588090  0.410901  1
  Cu  Cu8  1  0.780877  0.053575  0.417484  1
  Cu  Cu9  1  0.438581  0.369511  0.452686  1
  Cu  Cu10  1  0.171806  0.835170  0.459260  1
  Cu  Cu11  1  0.829471  0.151031  0.494472  1
  Cu  Cu12  1  0.562697  0.616691  0.501042  1
  Cu  Cu13  1  0.220362  0.932551  0.536254  1
  Cu  Cu14  1  0.953587  0.398210  0.542829  1
  Cu  Cu15  1  0.611291  0.714146  0.578031  1
  Cu  Cu16  1  0.344427  0.179632  0.584613  1
  Cu  Cu17  1  1.002202  0.495710  0.619777  1
  Cu  Cu18  1  0.735489  0.961495  0.626452  1
  Cu  Cu19  1  0.393410  0.277919  0.661569  1
  Cu  Cu20  1  0.126644  0.743465  0.668041  1
  Cu  Cu21  1  0.784600  0.060236  0.702441  1
  Cu  Cu22  1  0.517985  0.525576  0.708581  1
