# generated using pymatgen
data_Zr(AlCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48685220
_cell_length_b   6.48685178
_cell_length_c   6.48685127
_cell_angle_alpha   134.61731867
_cell_angle_beta   99.16919430
_cell_angle_gamma   97.94840383
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(AlCu)6
_chemical_formula_sum   'Zr1 Al6 Cu6'
_cell_volume   179.24490211
_cell_formula_units_Z   1
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  Zr0  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.34359872  0.00000000  0.34359872  1.0
  Al  Al2  1  0.65640128  1.00000000  0.65640128  1.0
  Al  Al3  1  0.65559047  0.65559047  0.00000000  1.0
  Al  Al4  1  0.34440953  0.34440953  1.00000000  1.0
  Al  Al5  1  0.18627535  0.68627535  0.50000000  1.0
  Al  Al6  1  0.81372465  0.31372465  0.50000000  1.0
  Cu  Cu7  1  0.76442185  0.50000000  0.26442185  1.0
  Cu  Cu8  1  0.23557815  0.50000000  0.73557815  1.0
  Cu  Cu9  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu10  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu11  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu12  1  0.50000000  0.50000000  0.50000000  1.0