# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07987389
_cell_length_b   5.07987389
_cell_length_c   45.97218355
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1027.38122635
_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  0.337344  0.418291  0.284636  1
  Cu  Cu2  1  0.337344  0.920653  0.284636  1
  Cu  Cu3  1  0.839706  0.920653  0.284636  1
  Cu  Cu4  1  0.171465  0.086532  0.329704  1
  Cu  Cu5  1  0.674355  0.092312  0.327901  1
  Cu  Cu6  1  0.674355  0.583642  0.327901  1
  Cu  Cu7  1  0.165685  0.583642  0.327901  1
  Cu  Cu8  1  0.504798  0.753199  0.373038  1
  Cu  Cu9  1  1.004168  0.751938  0.374195  1
  Cu  Cu10  1  1.004168  0.253829  0.374195  1
  Cu  Cu11  1  0.506059  0.253829  0.374195  1
  Cu  Cu12  1  0.838131  0.419865  0.419845  1
  Cu  Cu13  1  0.338624  0.420850  0.419436  1
  Cu  Cu14  1  0.338624  0.919373  0.419436  1
  Cu  Cu15  1  0.837147  0.919373  0.419436  1
  Cu  Cu16  1  0.171465  0.086532  0.464972  1
  Cu  Cu17  1  0.671259  0.086120  0.465219  1
  Cu  Cu18  1  0.671259  0.586738  0.465219  1
  Cu  Cu19  1  0.171877  0.586738  0.465219  1
  Cu  Cu20  1  0.504798  0.753199  0.510937  1
  Cu  Cu21  1  0.005006  0.753615  0.510717  1
  Cu  Cu22  1  0.005006  0.252991  0.510717  1
  Cu  Cu23  1  0.504382  0.252991  0.510717  1
  Cu  Cu24  1  0.838131  0.419865  0.556113  1
  Cu  Cu25  1  0.337770  0.419143  0.556480  1
  Cu  Cu26  1  0.337770  0.920227  0.556480  1
  Cu  Cu27  1  0.838854  0.920227  0.556480  1
  Cu  Cu28  1  0.171465  0.086532  0.602662  1
  Cu  Cu29  1  0.672203  0.088008  0.601812  1
  Cu  Cu30  1  0.672203  0.585794  0.601812  1
  Cu  Cu31  1  0.169989  0.585794  0.601812  1
  Cu  Cu32  1  0.504798  0.753199  0.646325  1
  Cu  Cu33  1  1.003045  0.749692  0.648151  1
  Cu  Cu34  1  1.003045  0.254952  0.648151  1
  Cu  Cu35  1  0.508305  0.254952  0.648151  1
  Cu  Cu36  1  0.838131  0.419865  0.697041  1
  Cu  Cu37  1  0.341727  0.427056  0.692194  1
  Cu  Cu38  1  0.341727  0.916270  0.692194  1
  Cu  Cu39  1  0.830941  0.916270  0.692194  1
  Cu  Cu40  1  0.171465  0.086532  0.732951  1
