# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44878379
_cell_length_b   8.35179277
_cell_length_c   47.75083038
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.54334425
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   965.969273241
_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  0.932541  0.643702  0.314383  1
  Cu  Cu2  1  0.167029  0.175500  0.294354  1
  Cu  Cu3  1  0.304088  0.900433  0.310598  1
  Cu  Cu4  1  0.540755  0.427464  0.291391  1
  Cu  Cu5  1  0.465474  0.577950  0.357667  1
  Cu  Cu6  1  0.699678  0.109776  0.336654  1
  Cu  Cu7  1  0.837688  0.833316  0.353661  1
  Cu  Cu8  1  0.071939  0.365038  0.333248  1
  Cu  Cu9  1  0.998733  0.511440  0.401514  1
  Cu  Cu10  1  0.232837  0.043298  0.379897  1
  Cu  Cu11  1  0.370828  0.767052  0.397411  1
  Cu  Cu12  1  0.604559  0.299716  0.376281  1
  Cu  Cu13  1  0.531920  0.445010  0.445230  1
  Cu  Cu14  1  0.765686  0.977555  0.423508  1
  Cu  Cu15  1  0.903856  0.700981  0.441175  1
  Cu  Cu16  1  0.137565  0.233660  0.419664  1
  Cu  Cu17  1  0.065006  0.378817  0.488884  1
  Cu  Cu18  1  0.298654  0.911604  0.467155  1
  Cu  Cu19  1  0.436903  0.634861  0.484873  1
  Cu  Cu20  1  0.670538  0.167671  0.463203  1
  Cu  Cu21  1  0.598044  0.312717  0.532493  1
  Cu  Cu22  1  0.831679  0.845527  0.510823  1
  Cu  Cu23  1  0.969928  0.568784  0.528541  1
  Cu  Cu24  1  0.203576  0.101571  0.506812  1
  Cu  Cu25  1  0.131017  0.246728  0.576032  1
  Cu  Cu26  1  0.364726  0.779407  0.554521  1
  Cu  Cu27  1  0.502896  0.502833  0.572188  1
  Cu  Cu28  1  0.736662  0.035378  0.550466  1
  Cu  Cu29  1  0.664023  0.180672  0.619415  1
  Cu  Cu30  1  0.897754  0.713337  0.598285  1
  Cu  Cu31  1  0.035746  0.437091  0.615799  1
  Cu  Cu32  1  0.269849  0.968948  0.594182  1
  Cu  Cu33  1  0.196643  0.115350  0.662447  1
  Cu  Cu34  1  0.430894  0.647072  0.642035  1
  Cu  Cu35  1  0.568904  0.370612  0.659042  1
  Cu  Cu36  1  0.803108  0.902438  0.638029  1
  Cu  Cu37  1  0.727827  0.052925  0.704305  1
  Cu  Cu38  1  0.964494  0.579956  0.685098  1
  Cu  Cu39  1  0.101553  0.304888  0.701342  1
  Cu  Cu40  1  0.336041  0.836686  0.681312  1
