# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10317499
_cell_length_b   5.10317499
_cell_length_c   45.94588745
_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   1036.23485775
_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  0.667963  0.334198  0.295224  1
  Cu  Cu2  1  0.667963  0.834198  0.295224  1
  Cu  Cu3  1  0.167963  0.834198  0.295224  1
  Cu  Cu4  1  0.167963  0.334198  0.295224  1
  Cu  Cu5  1  0.001297  1.000864  0.340459  1
  Cu  Cu6  1  0.001297  0.500864  0.340459  1
  Cu  Cu7  1  0.501297  0.500864  0.340459  1
  Cu  Cu8  1  0.501297  1.000864  0.340459  1
  Cu  Cu9  1  0.334630  0.667531  0.385942  1
  Cu  Cu10  1  0.334630  0.167531  0.385942  1
  Cu  Cu11  1  0.834630  0.167531  0.385942  1
  Cu  Cu12  1  0.834630  0.667531  0.385942  1
  Cu  Cu13  1  0.667963  0.334198  0.431423  1
  Cu  Cu14  1  0.667963  0.834198  0.431423  1
  Cu  Cu15  1  0.167963  0.834198  0.431423  1
  Cu  Cu16  1  0.167963  0.334198  0.431423  1
  Cu  Cu17  1  0.001297  1.000864  0.476904  1
  Cu  Cu18  1  0.001297  0.500864  0.476904  1
  Cu  Cu19  1  0.501297  0.500864  0.476904  1
  Cu  Cu20  1  0.501297  1.000864  0.476904  1
  Cu  Cu21  1  0.334630  0.667531  0.522385  1
  Cu  Cu22  1  0.334630  0.167531  0.522385  1
  Cu  Cu23  1  0.834630  0.167531  0.522385  1
  Cu  Cu24  1  0.834630  0.667531  0.522385  1
  Cu  Cu25  1  0.667963  0.334198  0.567866  1
  Cu  Cu26  1  0.667963  0.834198  0.567866  1
  Cu  Cu27  1  0.167963  0.834198  0.567866  1
  Cu  Cu28  1  0.167963  0.334198  0.567866  1
  Cu  Cu29  1  0.001297  1.000864  0.613347  1
  Cu  Cu30  1  0.001297  0.500864  0.613347  1
  Cu  Cu31  1  0.501297  0.500864  0.613347  1
  Cu  Cu32  1  0.501297  1.000864  0.613347  1
  Cu  Cu33  1  0.334630  0.667531  0.658830  1
  Cu  Cu34  1  0.334630  0.167531  0.658830  1
  Cu  Cu35  1  0.834630  0.167531  0.658830  1
  Cu  Cu36  1  0.834630  0.667531  0.658830  1
  Cu  Cu37  1  0.667963  0.334198  0.704065  1
  Cu  Cu38  1  0.667963  0.834198  0.704065  1
  Cu  Cu39  1  0.167963  0.834198  0.704065  1
  Cu  Cu40  1  0.167963  0.334198  0.704065  1
