# generated using pymatgen
data_ZrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52861885
_cell_length_b   4.52861885
_cell_length_c   46.67844948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCu
_chemical_formula_sum   'Zr11 Cu11'
_cell_volume   829.045933176
_cell_formula_units_Z   11
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  0.172838  0.587448  0.291137  1
  Zr  Zr2  1  0.506172  0.254114  0.328480  1
  Zr  Zr3  1  0.839505  0.920781  0.368107  1
  Zr  Zr4  1  0.172838  0.587448  0.408838  1
  Zr  Zr5  1  0.506172  0.254114  0.448746  1
  Zr  Zr6  1  0.839505  0.920781  0.489321  1
  Zr  Zr7  1  0.172838  0.587448  0.528979  1
  Zr  Zr8  1  0.506172  0.254114  0.569216  1
  Zr  Zr9  1  0.839505  0.920781  0.611021  1
  Zr  Zr10  1  0.172838  0.587448  0.648535  1
  Zr  Zr11  1  0.506172  0.254114  0.688742  1
  Cu  Cu12  1  0.839505  0.920781  0.309297  1
  Cu  Cu13  1  0.172838  0.587448  0.348956  1
  Cu  Cu14  1  0.506172  0.254114  0.388411  1
  Cu  Cu15  1  0.839505  0.920781  0.428904  1
  Cu  Cu16  1  0.172838  0.587448  0.468990  1
  Cu  Cu17  1  0.506172  0.254114  0.508717  1
  Cu  Cu18  1  0.839505  0.920781  0.550309  1
  Cu  Cu19  1  0.172838  0.587448  0.588571  1
  Cu  Cu20  1  0.506172  0.254114  0.629151  1
  Cu  Cu21  1  0.839505  0.920781  0.675062  1
  Cu  Cu22  1  0.172838  0.587448  0.704108  1
