# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90994961
_cell_length_b   4.90994961
_cell_length_c   46.45723858
_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   969.924866194
_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  0.337712  0.169586  0.303950  1
  Cu  Cu2  1  0.337712  0.669586  0.303950  1
  Cu  Cu3  1  0.837712  0.669586  0.303950  1
  Cu  Cu4  1  0.837712  0.169586  0.303950  1
  Cu  Cu5  1  0.671045  0.836252  0.346564  1
  Cu  Cu6  1  0.671045  0.336252  0.346564  1
  Cu  Cu7  1  0.171045  0.336252  0.346564  1
  Cu  Cu8  1  0.171045  0.836252  0.346564  1
  Cu  Cu9  1  1.004379  0.502919  0.390069  1
  Cu  Cu10  1  1.004379  1.002919  0.390069  1
  Cu  Cu11  1  0.504379  1.002919  0.390069  1
  Cu  Cu12  1  0.504379  0.502919  0.390069  1
  Cu  Cu13  1  0.337712  0.169586  0.433678  1
  Cu  Cu14  1  0.337712  0.669586  0.433678  1
  Cu  Cu15  1  0.837712  0.669586  0.433678  1
  Cu  Cu16  1  0.837712  0.169586  0.433678  1
  Cu  Cu17  1  0.671045  0.836252  0.477282  1
  Cu  Cu18  1  0.671045  0.336252  0.477282  1
  Cu  Cu19  1  0.171045  0.336252  0.477282  1
  Cu  Cu20  1  0.171045  0.836252  0.477282  1
  Cu  Cu21  1  1.004379  0.502919  0.520886  1
  Cu  Cu22  1  1.004379  1.002919  0.520886  1
  Cu  Cu23  1  0.504379  1.002919  0.520886  1
  Cu  Cu24  1  0.504379  0.502919  0.520886  1
  Cu  Cu25  1  0.337712  0.169586  0.564491  1
  Cu  Cu26  1  0.337712  0.669586  0.564491  1
  Cu  Cu27  1  0.837712  0.669586  0.564491  1
  Cu  Cu28  1  0.837712  0.169586  0.564491  1
  Cu  Cu29  1  0.671045  0.836252  0.608100  1
  Cu  Cu30  1  0.671045  0.336252  0.608100  1
  Cu  Cu31  1  0.171045  0.336252  0.608100  1
  Cu  Cu32  1  0.171045  0.836252  0.608100  1
  Cu  Cu33  1  1.004379  0.502919  0.651605  1
  Cu  Cu34  1  1.004379  1.002919  0.651605  1
  Cu  Cu35  1  0.504379  1.002919  0.651605  1
  Cu  Cu36  1  0.504379  0.502919  0.651605  1
  Cu  Cu37  1  0.337712  0.169586  0.694219  1
  Cu  Cu38  1  0.337712  0.669586  0.694219  1
  Cu  Cu39  1  0.837712  0.669586  0.694219  1
  Cu  Cu40  1  0.837712  0.169586  0.694219  1
