# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41055291
_cell_length_b   6.39260649
_cell_length_c   46.75710121
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu72
_cell_volume   1877.39931545
_cell_formula_units_Z   72
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  0.645746  0.647479  0.298054  1
  Cu  Cu2  1  0.145746  0.147479  0.298054  1
  Cu  Cu3  1  0.020746  0.522479  0.315026  1
  Cu  Cu4  1  0.520746  0.022479  0.315026  1
  Cu  Cu5  1  0.395746  0.397479  0.298054  1
  Cu  Cu6  1  0.895746  0.897479  0.298054  1
  Cu  Cu7  1  0.770746  0.272479  0.315026  1
  Cu  Cu8  1  0.270746  0.772479  0.315026  1
  Cu  Cu9  1  0.520746  0.522479  0.345866  1
  Cu  Cu10  1  0.020746  0.022479  0.345866  1
  Cu  Cu11  1  0.895746  0.397479  0.363323  1
  Cu  Cu12  1  0.395746  0.897479  0.363323  1
  Cu  Cu13  1  0.270746  0.272479  0.345866  1
  Cu  Cu14  1  0.770746  0.772479  0.345866  1
  Cu  Cu15  1  0.645746  0.147479  0.363323  1
  Cu  Cu16  1  0.145746  0.647479  0.363323  1
  Cu  Cu17  1  0.395746  0.397479  0.394463  1
  Cu  Cu18  1  0.895746  0.897479  0.394463  1
  Cu  Cu19  1  0.770746  0.272479  0.412158  1
  Cu  Cu20  1  0.270746  0.772479  0.412158  1
  Cu  Cu21  1  0.145746  0.147479  0.394463  1
  Cu  Cu22  1  0.645746  0.647479  0.394463  1
  Cu  Cu23  1  0.520746  0.022479  0.412158  1
  Cu  Cu24  1  0.020746  0.522479  0.412158  1
  Cu  Cu25  1  0.270746  0.272479  0.443218  1
  Cu  Cu26  1  0.770746  0.772479  0.443218  1
  Cu  Cu27  1  0.645746  0.147479  0.460960  1
  Cu  Cu28  1  0.145746  0.647479  0.460960  1
  Cu  Cu29  1  0.020746  0.022479  0.443218  1
  Cu  Cu30  1  0.520746  0.522479  0.443218  1
  Cu  Cu31  1  0.395746  0.897479  0.460960  1
  Cu  Cu32  1  0.895746  0.397479  0.460960  1
  Cu  Cu33  1  0.145746  0.147479  0.491996  1
  Cu  Cu34  1  0.645746  0.647479  0.491996  1
  Cu  Cu35  1  0.520746  0.022479  0.509748  1
  Cu  Cu36  1  0.020746  0.522479  0.509748  1
  Cu  Cu37  1  0.895746  0.897479  0.491996  1
  Cu  Cu38  1  0.395746  0.397479  0.491996  1
  Cu  Cu39  1  0.270746  0.772479  0.509748  1
  Cu  Cu40  1  0.770746  0.272479  0.509748  1
  Cu  Cu41  1  0.020746  0.022479  0.540784  1
  Cu  Cu42  1  0.520746  0.522479  0.540784  1
  Cu  Cu43  1  0.395746  0.897479  0.558526  1
  Cu  Cu44  1  0.895746  0.397479  0.558526  1
  Cu  Cu45  1  0.770746  0.772479  0.540784  1
  Cu  Cu46  1  0.270746  0.272479  0.540784  1
  Cu  Cu47  1  0.145746  0.647479  0.558526  1
  Cu  Cu48  1  0.645746  0.147479  0.558526  1
  Cu  Cu49  1  0.895746  0.897479  0.589586  1
  Cu  Cu50  1  0.395746  0.397479  0.589586  1
  Cu  Cu51  1  0.270746  0.772479  0.607281  1
  Cu  Cu52  1  0.770746  0.272479  0.607281  1
  Cu  Cu53  1  0.645746  0.647479  0.589586  1
  Cu  Cu54  1  0.145746  0.147479  0.589586  1
  Cu  Cu55  1  0.020746  0.522479  0.607281  1
  Cu  Cu56  1  0.520746  0.022479  0.607281  1
  Cu  Cu57  1  0.770746  0.772479  0.638421  1
  Cu  Cu58  1  0.270746  0.272479  0.638421  1
  Cu  Cu59  1  0.145746  0.647479  0.655878  1
  Cu  Cu60  1  0.645746  0.147479  0.655878  1
  Cu  Cu61  1  0.520746  0.522479  0.638421  1
  Cu  Cu62  1  0.020746  0.022479  0.638421  1
  Cu  Cu63  1  0.895746  0.397479  0.655878  1
  Cu  Cu64  1  0.395746  0.897479  0.655878  1
  Cu  Cu65  1  0.645746  0.647479  0.686719  1
  Cu  Cu66  1  0.145746  0.147479  0.686719  1
  Cu  Cu67  1  0.020746  0.522479  0.703690  1
  Cu  Cu68  1  0.520746  0.022479  0.703690  1
  Cu  Cu69  1  0.395746  0.397479  0.686719  1
  Cu  Cu70  1  0.895746  0.897479  0.686719  1
  Cu  Cu71  1  0.770746  0.272479  0.703690  1
  Cu  Cu72  1  0.270746  0.772479  0.703690  1
