# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11877632
_cell_length_b   4.61742898
_cell_length_c   46.51543237
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr9 Cu9'
_cell_volume   669.856097913
_cell_formula_units_Z   9
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
  Zr  Zr1  1  1.017602  0.986526  0.291595  1
  Zr  Zr2  1  1.017602  0.458148  0.340439  1
  Zr  Zr3  1  1.017602  0.983577  0.389936  1
  Zr  Zr4  1  1.017602  0.510205  0.441079  1
  Zr  Zr5  1  1.017602  0.987764  0.490065  1
  Zr  Zr6  1  1.017602  0.514090  0.541706  1
  Zr  Zr7  1  1.017602  0.993407  0.590375  1
  Zr  Zr8  1  1.017602  0.518856  0.642101  1
  Zr  Zr9  1  1.017602  -0.003251  0.689111  1
  Cu  Cu10  1  0.517602  0.491596  0.291619  1
  Cu  Cu11  1  0.517602  0.948976  0.339782  1
  Cu  Cu12  1  0.517602  0.483502  0.391123  1
  Cu  Cu13  1  0.517602  0.019416  0.439504  1
  Cu  Cu14  1  0.517602  0.479055  0.492001  1
  Cu  Cu15  1  0.517602  0.022814  0.539581  1
  Cu  Cu16  1  0.517602  0.484916  0.592558  1
  Cu  Cu17  1  0.517602  0.028027  0.640152  1
  Cu  Cu18  1  0.517602  0.491908  0.691536  1
