# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55479252
_cell_length_b   4.86896484
_cell_length_c   46.92934237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.14174065
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   563.496494095
_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  0.059149  0.617525  0.307443  1
  Cu  Cu2  1  0.385601  0.270505  0.275969  1
  Cu  Cu3  1  0.451556  0.402235  0.349929  1
  Cu  Cu4  1  0.787878  0.075294  0.316782  1
  Cu  Cu5  1  0.841528  0.182127  0.391901  1
  Cu  Cu6  1  0.180317  0.860260  0.357710  1
  Cu  Cu7  1  0.232033  0.963138  0.433801  1
  Cu  Cu8  1  0.572076  0.643832  0.399242  1
  Cu  Cu9  1  0.622538  0.744166  0.475628  1
  Cu  Cu10  1  0.963051  0.425828  0.440906  1
  Cu  Cu11  1  0.013137  0.525395  0.517423  1
  Cu  Cu12  1  0.353777  0.207318  0.482662  1
  Cu  Cu13  1  0.403863  0.306886  0.559179  1
  Cu  Cu14  1  0.744376  0.988548  0.524456  1
  Cu  Cu15  1  0.794838  0.088881  0.600843  1
  Cu  Cu16  1  0.134881  0.769576  0.566284  1
  Cu  Cu17  1  0.186597  0.872454  0.642375  1
  Cu  Cu18  1  0.525386  0.550586  0.608184  1
  Cu  Cu19  1  0.579036  0.657419  0.683302  1
  Cu  Cu20  1  0.915358  0.330479  0.650156  1
  Cu  Cu21  1  0.981313  0.462208  0.724115  1
  Cu  Cu22  1  0.307765  0.115189  0.692642  1
