data_Ho2Hf2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Hf2O7
_chemical_formula_sum   'Ho4 Hf4 O14'
_cell_volume   281.16
_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
  Ho  Ho4  1  0.9  0.3  0.9  1.0
  Ho  Ho5  1  0.9  0.9  0.3  1.0
  Ho  Ho6  1  0.3  0.3  0.3  1.0
  Ho  Ho7  1  0.3  0.9  0.9  1.0
  Hf  Hf0  1  0.5  0.5  0.5  1.0
  Hf  Hf1  1  0.9  0.9  0.5  1.0
  Hf  Hf2  1  0.5  0.9  0.9  1.0
  Hf  Hf3  1  0.9  0.5  0.9  1.0
  O  O8  1  0.2  0.2  0.44  1.0
  O  O9  1  0.2  0.96  0.2  1.0
  O  O10  1  0.44  0.2  0.2  1.0
  O  O11  1  0.8  0.56  0.8  1.0
  O  O12  1  0.03  0.8  0.8  1.0
  O  O13  1  0.8  0.8  0.03  1.0
  O  O14  1  0.0  0.0  0.0  1.0
  O  O15  1  0.6  0.6  0.6  1.0
  O  O16  1  0.2  0.2  0.96  1.0
  O  O17  1  0.96  0.2  0.2  1.0
  O  O18  1  0.2  0.44  0.2  1.0
  O  O19  1  0.56  0.8  0.8  1.0
  O  O20  1  0.8  0.03  0.8  1.0
  O  O21  1  0.8  0.8  0.56  1.0

data_Ho2Hf2O7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   18.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ho2Hf2O7
_chemical_formula_sum   'Ho12 Hf12 O42'
_cell_volume   843.49
_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
  Ho  Ho0  9  0.07  0.53  0.63  1.0
  Ho  Ho1  3  0.0  0.0  0.7  1.0
  Hf  Hf2  9  0.2  0.4  0.9  1.0
  Hf  Hf3  3  0.0  0.0  0.5  1.0
  O  O4  9  0.08  0.16  0.12  1.0
  O  O5  9  0.08  0.16  0.72  1.0
  O  O6  9  0.16  0.08  0.28  1.0
  O  O7  9  0.16  0.08  0.88  1.0
  O  O8  3  0.0  0.0  0.4  1.0
  O  O9  3  0.0  0.0  1.0  1.0

Ho Ho Ho Ho Hf Hf Hf Hf O O O O O O O O O O O O O O
Ho Ho Ho Ho Hf Hf Hf Hf O O O O O O O O O O O O O O 0 11 o o o 0 14 + o + 0 7 o o o 1 21 o o o 1 5 o o o 1 14 + + o 2 8 o o o 2 18 o o o 2 10 o o o 3 14 o + + 3 19 o o o 3 6 o o o 4 15 o o o 5 21 o o o 6 19 o o o 7 11 o o o 9 17 - + o 9 16 o + - 12 20 - + o 12 13 - o + 13 20 o + - 16 17 - o + 