# generated using pymatgen
data_Zr3AlRu2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51369304
_cell_length_b   8.51369322
_cell_length_c   8.51369325
_cell_angle_alpha   60.00000370
_cell_angle_beta   60.00000298
_cell_angle_gamma   60.00000051
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3AlRu2O
_chemical_formula_sum   'Zr12 Al4 Ru8 O4'
_cell_volume   436.35404786
_cell_formula_units_Z   4
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  0.80604607  0.80604607  0.19395393  1.0
  Zr  Zr1  1  0.19395393  0.19395393  0.80604607  1.0
  Zr  Zr2  1  0.80604607  0.19395393  0.80604607  1.0
  Zr  Zr3  1  0.19395393  0.80604607  0.19395393  1.0
  Zr  Zr4  1  0.19395393  0.80604607  0.80604607  1.0
  Zr  Zr5  1  0.80604607  0.19395393  0.19395393  1.0
  Zr  Zr6  1  0.44395393  0.44395393  0.05604607  1.0
  Zr  Zr7  1  0.05604607  0.05604607  0.44395393  1.0
  Zr  Zr8  1  0.44395393  0.05604607  0.44395393  1.0
  Zr  Zr9  1  0.05604607  0.44395393  0.05604607  1.0
  Zr  Zr10  1  0.05604607  0.44395393  0.44395393  1.0
  Zr  Zr11  1  0.44395393  0.05604607  0.05604607  1.0
  Al  Al12  1  0.12500000  0.62500000  0.62500000  1.0
  Al  Al13  1  0.62500000  0.12500000  0.62500000  1.0
  Al  Al14  1  0.62500000  0.62500000  0.12500000  1.0
  Al  Al15  1  0.62500000  0.62500000  0.62500000  1.0
  Ru  Ru16  1  0.75082418  0.41639261  0.41639261  1.0
  Ru  Ru17  1  0.41639261  0.75082418  0.41639261  1.0
  Ru  Ru18  1  0.41639261  0.41639261  0.75082418  1.0
  Ru  Ru19  1  0.41639261  0.41639261  0.41639261  1.0
  Ru  Ru20  1  0.49917582  0.83360739  0.83360739  1.0
  Ru  Ru21  1  0.83360739  0.49917582  0.83360739  1.0
  Ru  Ru22  1  0.83360739  0.83360739  0.49917582  1.0
  Ru  Ru23  1  0.83360739  0.83360739  0.83360739  1.0
  O  O24  1  0.62500000  0.12500000  0.12500000  1.0
  O  O25  1  0.12500000  0.62500000  0.12500000  1.0
  O  O26  1  0.12500000  0.12500000  0.62500000  1.0
  O  O27  1  0.12500000  0.12500000  0.12500000  1.0