# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52227675
_cell_length_b   4.92621596
_cell_length_c   47.45464086
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.83664241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   569.978593225
_cell_formula_units_Z   22
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  0.899245  0.289329  0.284424  1
  Cu  Cu2  1  0.634636  0.760049  0.289995  1
  Cu  Cu3  1  0.294577  0.079992  0.325466  1
  Cu  Cu4  1  0.028821  0.548439  0.331501  1
  Cu  Cu5  1  0.689916  0.870683  0.366835  1
  Cu  Cu6  1  0.423981  0.338775  0.373261  1
  Cu  Cu7  1  0.085692  0.662247  0.408536  1
  Cu  Cu8  1  0.819360  0.129548  0.415040  1
  Cu  Cu9  1  0.481316  0.453509  0.450250  1
  Cu  Cu10  1  0.214913  0.920669  0.456812  1
  Cu  Cu11  1  0.876954  0.244800  0.491985  1
  Cu  Cu12  1  0.610506  0.711872  0.498558  1
  Cu  Cu13  1  0.272547  0.036003  0.533732  1
  Cu  Cu14  1  1.006144  0.503163  0.540293  1
  Cu  Cu15  1  0.668100  0.827124  0.575503  1
  Cu  Cu16  1  0.401768  0.294425  0.582007  1
  Cu  Cu17  1  0.063479  0.617897  0.617283  1
  Cu  Cu18  1  0.797543  0.085989  0.623709  1
  Cu  Cu19  1  0.458639  0.408233  0.659042  1
  Cu  Cu20  1  0.192883  0.876680  0.665078  1
  Cu  Cu21  1  0.852824  0.196623  0.700548  1
  Cu  Cu22  1  0.588215  0.667343  0.706119  1
