# generated using pymatgen
data_HfZr9(ReO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63557115
_cell_length_b   8.63557081
_cell_length_c   8.53999039
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr9(ReO)3
_chemical_formula_sum   'Hf2 Zr18 Re6 O6'
_cell_volume   551.53124949
_cell_formula_units_Z   2
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
  Hf  Hf0  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf1  1  0.00000000  0.00000000  0.50000000  1.0
  Zr  Zr2  1  0.45392849  0.90785699  0.25000000  1.0
  Zr  Zr3  1  0.54607151  0.09214301  0.75000000  1.0
  Zr  Zr4  1  0.09214301  0.54607151  0.25000000  1.0
  Zr  Zr5  1  0.90785699  0.45392849  0.75000000  1.0
  Zr  Zr6  1  0.45392849  0.54607151  0.25000000  1.0
  Zr  Zr7  1  0.54607151  0.45392849  0.75000000  1.0
  Zr  Zr8  1  0.20438229  0.40876457  0.56204606  1.0
  Zr  Zr9  1  0.79561771  0.59123543  0.43795394  1.0
  Zr  Zr10  1  0.59123543  0.79561771  0.56204606  1.0
  Zr  Zr11  1  0.79561771  0.59123543  0.06204606  1.0
  Zr  Zr12  1  0.40876457  0.20438229  0.43795394  1.0
  Zr  Zr13  1  0.20438229  0.40876457  0.93795394  1.0
  Zr  Zr14  1  0.20438229  0.79561771  0.56204606  1.0
  Zr  Zr15  1  0.40876457  0.20438229  0.06204606  1.0
  Zr  Zr16  1  0.79561771  0.20438229  0.43795394  1.0
  Zr  Zr17  1  0.59123543  0.79561771  0.93795394  1.0
  Zr  Zr18  1  0.79561771  0.20438229  0.06204606  1.0
  Zr  Zr19  1  0.20438229  0.79561771  0.93795394  1.0
  Re  Re20  1  0.11406031  0.22812063  0.25000000  1.0
  Re  Re21  1  0.88593969  0.77187937  0.75000000  1.0
  Re  Re22  1  0.77187937  0.88593969  0.25000000  1.0
  Re  Re23  1  0.22812063  0.11406031  0.75000000  1.0
  Re  Re24  1  0.11406031  0.88593969  0.25000000  1.0
  Re  Re25  1  0.88593969  0.11406031  0.75000000  1.0
  O  O26  1  0.50000000  0.00000000  0.00000000  1.0
  O  O27  1  0.00000000  0.50000000  0.00000000  1.0
  O  O28  1  0.50000000  0.00000000  0.50000000  1.0
  O  O29  1  0.50000000  0.50000000  0.00000000  1.0
  O  O30  1  0.00000000  0.50000000  0.50000000  1.0
  O  O31  1  0.50000000  0.50000000  0.50000000  1.0