# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54061560
_cell_length_b   8.66863298
_cell_length_c   47.20586127
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.43930638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1028.38862826
_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  0.842086  0.678023  0.306912  1
  Cu  Cu2  1  0.607625  0.209467  0.285361  1
  Cu  Cu3  1  0.470299  0.934375  0.302890  1
  Cu  Cu4  1  0.234625  0.463186  0.282020  1
  Cu  Cu5  1  0.309228  0.612360  0.352169  1
  Cu  Cu6  1  0.075207  0.144447  0.330044  1
  Cu  Cu7  1  0.937011  0.867852  0.348086  1
  Cu  Cu8  1  0.702886  0.399688  0.326316  1
  Cu  Cu9  1  0.776194  0.546312  0.397890  1
  Cu  Cu10  1  0.542185  0.078340  0.375301  1
  Cu  Cu11  1  0.404005  0.801859  0.393752  1
  Cu  Cu12  1  0.170305  0.334506  0.371493  1
  Cu  Cu13  1  0.243190  0.480310  0.443513  1
  Cu  Cu14  1  0.009423  0.012796  0.420829  1
  Cu  Cu15  1  0.871121  0.736099  0.439416  1
  Cu  Cu16  1  0.637415  0.268711  0.416879  1
  Cu  Cu17  1  0.710271  0.414473  0.489093  1
  Cu  Cu18  1  0.476599  0.947142  0.466395  1
  Cu  Cu19  1  0.338227  0.670315  0.485029  1
  Cu  Cu20  1  0.104567  0.203008  0.462373  1
  Cu  Cu21  1  0.177389  0.348707  0.534638  1
  Cu  Cu22  1  0.943729  0.881399  0.511982  1
  Cu  Cu23  1  0.805357  0.604573  0.530616  1
  Cu  Cu24  1  0.571685  0.137241  0.507918  1
  Cu  Cu25  1  0.644541  0.283004  0.580131  1
  Cu  Cu26  1  0.410835  0.815616  0.557595  1
  Cu  Cu27  1  0.272533  0.538919  0.576181  1
  Cu  Cu28  1  0.038766  0.071405  0.553498  1
  Cu  Cu29  1  0.111651  0.217208  0.625518  1
  Cu  Cu30  1  0.877951  0.749856  0.603259  1
  Cu  Cu31  1  0.739771  0.473374  0.621710  1
  Cu  Cu32  1  0.505762  0.005403  0.599121  1
  Cu  Cu33  1  0.579070  0.152026  0.670694  1
  Cu  Cu34  1  0.344945  0.683862  0.648925  1
  Cu  Cu35  1  0.206749  0.407268  0.666966  1
  Cu  Cu36  1  0.972728  0.939355  0.644842  1
  Cu  Cu37  1  0.047331  0.088528  0.714991  1
  Cu  Cu38  1  0.811657  0.617340  0.694121  1
  Cu  Cu39  1  0.674331  0.342247  0.711649  1
  Cu  Cu40  1  0.439870  0.873691  0.690099  1
