# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54059800
_cell_length_b   8.66874850
_cell_length_c   47.20554035
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.43930628
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1028.38821622
_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  0.842089  0.678022  0.306914  1
  Cu  Cu2  1  0.607626  0.209466  0.285364  1
  Cu  Cu3  1  0.470303  0.934374  0.302892  1
  Cu  Cu4  1  0.234627  0.463184  0.282022  1
  Cu  Cu5  1  0.309230  0.612357  0.352172  1
  Cu  Cu6  1  0.075209  0.144444  0.330047  1
  Cu  Cu7  1  0.937013  0.867850  0.348088  1
  Cu  Cu8  1  0.702888  0.399686  0.326319  1
  Cu  Cu9  1  0.776196  0.546308  0.397893  1
  Cu  Cu10  1  0.542186  0.078337  0.375303  1
  Cu  Cu11  1  0.404007  0.801855  0.393755  1
  Cu  Cu12  1  0.170307  0.334503  0.371495  1
  Cu  Cu13  1  0.243190  0.480305  0.443516  1
  Cu  Cu14  1  0.009424  0.012791  0.420832  1
  Cu  Cu15  1  0.871122  0.736094  0.439419  1
  Cu  Cu16  1  0.637416  0.268706  0.416882  1
  Cu  Cu17  1  0.710271  0.414467  0.489096  1
  Cu  Cu18  1  0.476599  0.947136  0.466398  1
  Cu  Cu19  1  0.338228  0.670309  0.485032  1
  Cu  Cu20  1  0.104568  0.203002  0.462376  1
  Cu  Cu21  1  0.177389  0.348699  0.534641  1
  Cu  Cu22  1  0.943728  0.881392  0.511985  1
  Cu  Cu23  1  0.805357  0.604565  0.530619  1
  Cu  Cu24  1  0.571686  0.137235  0.507921  1
  Cu  Cu25  1  0.644540  0.282995  0.580135  1
  Cu  Cu26  1  0.410834  0.815607  0.557599  1
  Cu  Cu27  1  0.272533  0.538910  0.576185  1
  Cu  Cu28  1  0.038766  0.071397  0.553501  1
  Cu  Cu29  1  0.111649  0.217198  0.625522  1
  Cu  Cu30  1  0.877949  0.749846  0.603263  1
  Cu  Cu31  1  0.739770  0.473364  0.621714  1
  Cu  Cu32  1  0.505761  0.005393  0.599124  1
  Cu  Cu33  1  0.579068  0.152015  0.670699  1
  Cu  Cu34  1  0.344943  0.683851  0.648929  1
  Cu  Cu35  1  0.206748  0.407257  0.666970  1
  Cu  Cu36  1  0.972727  0.939344  0.644846  1
  Cu  Cu37  1  0.047329  0.088517  0.714995  1
  Cu  Cu38  1  0.811653  0.617327  0.694125  1
  Cu  Cu39  1  0.674330  0.342235  0.711653  1
  Cu  Cu40  1  0.439867  0.873680  0.690103  1
