# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12458707
_cell_length_b   4.12458703
_cell_length_c   45.63137877
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu24
_cell_volume   672.287707483
_cell_formula_units_Z   24
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  0.503945  0.752630  0.306350  1
  Cu  Cu2  1  0.837278  0.419297  0.290930  1
  Cu  Cu3  1  0.837278  0.419297  0.344092  1
  Cu  Cu4  1  0.170612  0.085963  0.322580  1
  Cu  Cu5  1  0.170612  0.085963  0.378967  1
  Cu  Cu6  1  0.503945  0.752630  0.361105  1
  Cu  Cu7  1  0.503945  0.752630  0.417003  1
  Cu  Cu8  1  0.837278  0.419297  0.399010  1
  Cu  Cu9  1  0.837278  0.419297  0.454534  1
  Cu  Cu10  1  0.170612  0.085963  0.435276  1
  Cu  Cu11  1  0.170612  0.085963  0.491258  1
  Cu  Cu12  1  0.503945  0.752630  0.472862  1
  Cu  Cu13  1  0.503945  0.752630  0.528713  1
  Cu  Cu14  1  0.837278  0.419297  0.510317  1
  Cu  Cu15  1  0.837278  0.419297  0.566299  1
  Cu  Cu16  1  0.170612  0.085963  0.547041  1
  Cu  Cu17  1  0.170612  0.085963  0.602565  1
  Cu  Cu18  1  0.503945  0.752630  0.584572  1
  Cu  Cu19  1  0.503945  0.752630  0.640470  1
  Cu  Cu20  1  0.837278  0.419297  0.622608  1
  Cu  Cu21  1  0.837278  0.419297  0.678995  1
  Cu  Cu22  1  0.170612  0.085963  0.657483  1
  Cu  Cu23  1  0.170612  0.085963  0.710645  1
  Cu  Cu24  1  0.503945  0.752630  0.695225  1
