# generated using pymatgen
data_Hf10(ReO)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54574250
_cell_length_b   8.54574321
_cell_length_c   8.39803937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf10(ReO)3
_chemical_formula_sum   'Hf20 Re6 O6'
_cell_volume   531.13897894
_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  0.45370234  0.90740267  0.25000000  1.0
  Hf  Hf1  1  0.54629766  0.09259733  0.75000000  1.0
  Hf  Hf2  1  0.09259733  0.54629766  0.25000000  1.0
  Hf  Hf3  1  0.90740267  0.45370234  0.75000000  1.0
  Hf  Hf4  1  0.45370234  0.54629766  0.25000000  1.0
  Hf  Hf5  1  0.54629766  0.45370234  0.75000000  1.0
  Hf  Hf6  1  0.20417996  0.40835991  0.56283034  1.0
  Hf  Hf7  1  0.79582004  0.59164009  0.43716966  1.0
  Hf  Hf8  1  0.59164009  0.79582004  0.56283034  1.0
  Hf  Hf9  1  0.79582004  0.59164009  0.06283034  1.0
  Hf  Hf10  1  0.40835991  0.20417996  0.43716966  1.0
  Hf  Hf11  1  0.20417996  0.40835991  0.93716966  1.0
  Hf  Hf12  1  0.20417996  0.79582004  0.56283034  1.0
  Hf  Hf13  1  0.40835991  0.20417996  0.06283034  1.0
  Hf  Hf14  1  0.79582004  0.20417996  0.43716966  1.0
  Hf  Hf15  1  0.59164009  0.79582004  0.93716966  1.0
  Hf  Hf16  1  0.79582004  0.20417996  0.06283034  1.0
  Hf  Hf17  1  0.20417996  0.79582004  0.93716966  1.0
  Hf  Hf18  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf19  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re20  1  0.11688856  0.23377712  0.25000000  1.0
  Re  Re21  1  0.88311144  0.76622288  0.75000000  1.0
  Re  Re22  1  0.76622288  0.88311144  0.25000000  1.0
  Re  Re23  1  0.23377712  0.11688856  0.75000000  1.0
  Re  Re24  1  0.11688856  0.88311144  0.25000000  1.0
  Re  Re25  1  0.88311144  0.11688856  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