# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52079840
_cell_length_b   8.84755864
_cell_length_c   47.22659864
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.25656352
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1042.37323898
_cell_formula_units_Z   40
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  0.498925  0.986457  0.273352  1
  Cu  Cu2  1  0.736517  0.463644  0.295106  1
  Cu  Cu3  1  0.364617  0.718544  0.290588  1
  Cu  Cu4  1  0.599482  0.188245  0.310916  1
  Cu  Cu5  1  0.970452  0.930059  0.317886  1
  Cu  Cu6  1  0.203902  0.398115  0.339827  1
  Cu  Cu7  1  0.831983  0.653570  0.335617  1
  Cu  Cu8  1  0.067445  0.124457  0.357475  1
  Cu  Cu9  1  0.438405  0.866440  0.362966  1
  Cu  Cu10  1  0.672617  0.335380  0.385336  1
  Cu  Cu11  1  0.300687  0.591083  0.381221  1
  Cu  Cu12  1  0.535375  0.060486  0.403470  1
  Cu  Cu13  1  0.906942  0.803792  0.408320  1
  Cu  Cu14  1  0.141158  0.272477  0.430831  1
  Cu  Cu15  1  0.769184  0.528193  0.426708  1
  Cu  Cu16  1  1.003658  0.997201  0.449179  1
  Cu  Cu17  1  0.375389  0.740877  0.453754  1
  Cu  Cu18  1  0.609675  0.209590  0.476330  1
  Cu  Cu19  1  0.237688  0.465313  0.472193  1
  Cu  Cu20  1  0.472045  0.934118  0.494758  1
  Cu  Cu21  1  0.843823  0.677900  0.499257  1
  Cu  Cu22  1  0.078180  0.146704  0.521822  1
  Cu  Cu23  1  0.706194  0.402427  0.517685  1
  Cu  Cu24  1  0.940479  0.871140  0.540261  1
  Cu  Cu25  1  0.312211  0.614816  0.544836  1
  Cu  Cu26  1  0.546684  0.083824  0.567307  1
  Cu  Cu27  1  0.174711  0.339540  0.563184  1
  Cu  Cu28  1  0.408926  0.808226  0.585694  1
  Cu  Cu29  1  0.780494  0.551531  0.590545  1
  Cu  Cu30  1  0.015181  0.020935  0.612794  1
  Cu  Cu31  1  0.643251  0.276637  0.608679  1
  Cu  Cu32  1  0.877463  0.745577  0.631049  1
  Cu  Cu33  1  0.248424  0.487560  0.636540  1
  Cu  Cu34  1  0.483885  0.958448  0.658398  1
  Cu  Cu35  1  0.111966  0.213902  0.654188  1
  Cu  Cu36  1  0.345416  0.681958  0.676129  1
  Cu  Cu37  1  0.716386  0.423772  0.683099  1
  Cu  Cu38  1  0.951251  0.893474  0.703427  1
  Cu  Cu39  1  0.579352  0.148373  0.698909  1
  Cu  Cu40  1  0.816944  0.625561  0.720663  1
