# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14183481
_cell_length_b   6.46595613
_cell_length_c   47.03059990
_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   1194.88827981
_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  0.392233  0.546639  0.290081  1
  Cu  Cu2  1  0.579877  0.969873  0.308330  1
  Cu  Cu3  1  0.785499  0.324820  0.282927  1
  Cu  Cu4  1  0.988587  0.758883  0.298474  1
  Cu  Cu5  1  0.748651  0.427604  0.331606  1
  Cu  Cu6  1  0.926350  0.859563  0.349349  1
  Cu  Cu7  1  0.175207  0.194335  0.316869  1
  Cu  Cu8  1  0.336444  0.642381  0.340356  1
  Cu  Cu9  1  0.104987  0.294731  0.368962  1
  Cu  Cu10  1  0.276591  0.741802  0.391228  1
  Cu  Cu11  1  0.514735  0.075268  0.359130  1
  Cu  Cu12  1  0.687408  0.522531  0.381792  1
  Cu  Cu13  1  0.455273  0.176302  0.410822  1
  Cu  Cu14  1  0.632458  0.620954  0.432590  1
  Cu  Cu15  1  0.866050  0.959217  0.400730  1
  Cu  Cu16  1  0.045746  0.397291  0.420985  1
  Cu  Cu17  1  0.811341  0.058748  0.452200  1
  Cu  Cu18  1  0.989919  0.498251  0.472827  1
  Cu  Cu19  1  0.221633  0.840198  0.442474  1
  Cu  Cu20  1  0.400428  0.277086  0.462346  1
  Cu  Cu21  1  0.167492  0.939228  0.493817  1
  Cu  Cu22  1  0.346199  0.377029  0.513701  1
  Cu  Cu23  1  0.578405  0.720206  0.483731  1
  Cu  Cu24  1  0.757112  0.158008  0.503615  1
  Cu  Cu25  1  0.524176  0.820150  0.535086  1
  Cu  Cu26  1  0.702971  0.257038  0.554958  1
  Cu  Cu27  1  0.934685  0.598985  0.524605  1
  Cu  Cu28  1  0.113262  0.038488  0.545232  1
  Cu  Cu29  1  0.878858  0.699944  0.576447  1
  Cu  Cu30  1  0.058554  0.138019  0.596702  1
  Cu  Cu31  1  0.292146  0.476282  0.564842  1
  Cu  Cu32  1  0.469331  0.920934  0.586610  1
  Cu  Cu33  1  0.237196  0.574705  0.615640  1
  Cu  Cu34  1  0.409868  0.021968  0.638303  1
  Cu  Cu35  1  0.648013  0.355434  0.606204  1
  Cu  Cu36  1  0.819617  0.802505  0.628470  1
  Cu  Cu37  1  0.588160  0.454855  0.657077  1
  Cu  Cu38  1  0.749396  0.902901  0.680563  1
  Cu  Cu39  1  0.998254  0.237673  0.648083  1
  Cu  Cu40  1  0.175952  0.669632  0.665826  1
  Cu  Cu41  1  0.936017  0.338353  0.698958  1
  Cu  Cu42  1  0.139104  0.772416  0.714505  1
  Cu  Cu43  1  0.344727  0.127363  0.689102  1
  Cu  Cu44  1  0.532371  0.550597  0.707351  1
