data_Hf(RuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf(RuO2)2
_chemical_formula_sum   'Hf2 Ru4 O8'
_cell_volume   168.81
_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  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.19  0.19  0.19  1.0
  Ru  Ru10  1  0.29  0.29  0.48  1.0
  Ru  Ru11  1  0.29  0.48  0.29  1.0
  Ru  Ru12  1  0.48  0.29  0.29  1.0
  Ru  Ru13  1  0.48  0.48  0.48  1.0
  O  O2  1  0.34  0.34  0.34  1.0
  O  O3  1  0.34  0.43  0.43  1.0
  O  O4  1  0.43  0.34  0.43  1.0
  O  O5  1  0.54  0.54  0.62  1.0
  O  O6  1  0.43  0.43  0.34  1.0
  O  O7  1  0.54  0.62  0.54  1.0
  O  O8  1  0.62  0.62  0.62  1.0
  O  O9  1  0.62  0.54  0.54  1.0

data_Hf(RuO2)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   15.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hf(RuO2)2
_chemical_formula_sum   'Hf6 Ru12 O24'
_cell_volume   506.44
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Hf  Hf1  3  0.0  0.0  0.81  1.0
  Ru  Ru2  9  0.06  0.13  0.65  1.0
  Ru  Ru3  3  0.0  0.0  0.52  1.0
  O  O4  9  0.03  0.06  0.43  1.0
  O  O5  9  0.06  0.03  0.6  1.0
  O  O6  3  0.0  0.0  0.38  1.0
  O  O7  3  0.0  0.0  0.66  1.0

Hf Hf Ru Ru Ru Ru O O O O O O O O
Hf Hf Ru Ru Ru Ru O O O O O O O O 0 13 - - o 0 13 - o - 0 12 - - o 0 12 - o - 0 12 o - - 0 11 - - o 0 11 o - - 0 9 - o - 0 9 o - - 0 10 - o o 0 10 o - o 0 10 o o - 0 8 - o o 0 8 o - o 0 8 o o - 0 7 - o o 0 7 o - o 0 7 o o - 0 6 - o o 0 6 o - o 0 6 o o - 0 4 - o o 0 4 o - o 0 4 o o - 0 3 - o o 0 3 o - o 0 3 o o - 0 2 - o o 0 2 o - o 0 2 o o - 0 1 o o o 1 6 o o o 1 4 o o o 1 3 o o o 1 2 o o o 2 6 o o o 3 6 o o o 4 6 o o o 5 10 o o o 5 8 o o o 5 7 o o o 5 13 o o o 5 11 o o o 5 9 o o o 7 8 o o o 7 10 o o o 8 10 o o o 9 13 o o o 9 11 o o o 9 12 o o o 11 13 o o o 11 12 o o o 12 13 o o o 