# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09774708
_cell_length_b   6.39336770
_cell_length_c   46.21830366
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu44
_cell_volume   1148.70917198
_cell_formula_units_Z   44
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  0.967505  0.523924  0.289623  1
  Cu  Cu2  1  0.175613  0.944084  0.308541  1
  Cu  Cu3  1  0.356319  0.301503  0.280216  1
  Cu  Cu4  1  0.567735  0.725942  0.298926  1
  Cu  Cu5  1  0.394910  0.391110  0.329238  1
  Cu  Cu6  1  0.616620  0.841285  0.348773  1
  Cu  Cu7  1  0.786396  0.168082  0.315070  1
  Cu  Cu8  1  0.006226  0.617794  0.339605  1
  Cu  Cu9  1  0.832707  0.276819  0.368711  1
  Cu  Cu10  1  0.054168  0.723801  0.391499  1
  Cu  Cu11  1  0.222170  0.055170  0.359762  1
  Cu  Cu12  1  0.444447  0.502476  0.380645  1
  Cu  Cu13  1  0.273484  0.164956  0.411869  1
  Cu  Cu14  1  0.494544  0.608881  0.432953  1
  Cu  Cu15  1  0.664281  0.945530  0.401290  1
  Cu  Cu16  1  0.883437  0.385723  0.421966  1
  Cu  Cu17  1  0.714963  0.051700  0.453783  1
  Cu  Cu18  1  0.935144  0.493946  0.474732  1
  Cu  Cu19  1  0.104960  0.830623  0.443602  1
  Cu  Cu20  1  0.324833  0.272420  0.464262  1
  Cu  Cu21  1  0.155907  0.937352  0.495917  1
  Cu  Cu22  1  0.376116  0.379736  0.516725  1
  Cu  Cu23  1  0.545720  0.716030  0.485389  1
  Cu  Cu24  1  0.765929  0.158414  0.506196  1
  Cu  Cu25  1  0.597003  0.823346  0.537852  1
  Cu  Cu26  1  0.816876  0.265143  0.558511  1
  Cu  Cu27  1  0.986692  0.601820  0.527381  1
  Cu  Cu28  1  0.206873  0.044066  0.548330  1
  Cu  Cu29  1  0.038399  0.710044  0.580148  1
  Cu  Cu30  1  0.257555  0.150237  0.600824  1
  Cu  Cu31  1  0.427292  0.486886  0.569160  1
  Cu  Cu32  1  0.648352  0.930810  0.590245  1
  Cu  Cu33  1  0.477389  0.593290  0.621468  1
  Cu  Cu34  1  0.699666  0.040596  0.642351  1
  Cu  Cu35  1  0.867668  0.371965  0.610615  1
  Cu  Cu36  1  0.089129  0.818947  0.633402  1
  Cu  Cu37  1  0.915610  0.477972  0.662508  1
  Cu  Cu38  1  0.135440  0.927684  0.687043  1
  Cu  Cu39  1  0.305216  0.254481  0.653340  1
  Cu  Cu40  1  0.526926  0.704656  0.672876  1
  Cu  Cu41  1  0.354101  0.369825  0.703188  1
  Cu  Cu42  1  0.565517  0.794263  0.721898  1
  Cu  Cu43  1  0.746223  0.151682  0.693573  1
  Cu  Cu44  1  0.954331  0.571842  0.712490  1
