# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11009542
_cell_length_b   4.64143958
_cell_length_c   46.83182901
_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   676.03243826
_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  0.505285  0.286852  0.296502  1
  Zr  Zr2  1  0.505285  0.826544  0.344277  1
  Zr  Zr3  1  0.505285  0.367098  0.395334  1
  Zr  Zr4  1  0.505285  0.907291  0.445220  1
  Zr  Zr5  1  0.505285  0.447965  0.495276  1
  Zr  Zr6  1  0.505285  0.988639  0.545332  1
  Zr  Zr7  1  0.505285  0.528832  0.595218  1
  Zr  Zr8  1  0.505285  0.069387  0.646274  1
  Zr  Zr9  1  0.505285  0.609079  0.694049  1
  Cu  Cu10  1  1.005285  0.782564  0.294613  1
  Cu  Cu11  1  1.005285  0.326829  0.345689  1
  Cu  Cu12  1  1.005285  0.867423  0.395003  1
  Cu  Cu13  1  1.005285  0.406912  0.445240  1
  Cu  Cu14  1  1.005285  0.947965  0.495276  1
  Cu  Cu15  1  1.005285  0.489019  0.545311  1
  Cu  Cu16  1  1.005285  0.028507  0.595548  1
  Cu  Cu17  1  0.005285  0.569102  0.644863  1
  Cu  Cu18  1  1.005285  0.113366  0.695939  1
