data_Ho2Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Ti2O7
_chemical_formula_sum   'Ho4 Ti4 O14'
_cell_volume   261.2
_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  Ho0  1  0.27  0.81  0.81  1.0
  Ho  Ho1  1  0.27  0.27  0.27  1.0
  Ho  Ho2  1  0.81  0.27  0.81  1.0
  Ho  Ho3  1  0.81  0.81  0.27  1.0
  Ti  Ti4  1  0.81  0.81  0.34  1.0
  Ti  Ti5  1  0.81  0.34  0.81  1.0
  Ti  Ti6  1  0.34  0.34  0.34  1.0
  Ti  Ti7  1  0.34  0.81  0.81  1.0
  O  O8  1  0.52  0.61  0.61  1.0
  O  O9  1  0.99  0.07  0.07  1.0
  O  O10  1  0.07  0.07  0.16  1.0
  O  O11  1  0.61  0.61  0.7  1.0
  O  O12  1  0.61  0.7  0.61  1.0
  O  O13  1  0.07  0.16  0.07  1.0
  O  O14  1  0.07  0.99  0.07  1.0
  O  O15  1  0.0  0.0  0.0  1.0
  O  O16  1  0.07  0.07  0.99  1.0
  O  O17  1  0.16  0.07  0.07  1.0
  O  O18  1  0.54  0.54  0.54  1.0
  O  O19  1  0.61  0.52  0.61  1.0
  O  O20  1  0.61  0.61  0.52  1.0
  O  O21  1  0.7  0.61  0.61  1.0

data_Ho2Ti2O7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   17.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ho2Ti2O7
_chemical_formula_sum   'Ho12 Ti12 O42'
_cell_volume   783.61
_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  0.02  0.51  0.71  1.0
  Ho  Ho1  3  0.0  0.0  0.73  1.0
  Ti  Ti2  9  0.18  0.36  0.02  1.0
  Ti  Ti3  3  0.0  0.0  0.66  1.0
  O  O4  9  0.03  0.06  0.9  1.0
  O  O5  9  0.03  0.06  0.36  1.0
  O  O6  9  0.06  0.03  0.42  1.0
  O  O7  9  0.06  0.03  0.96  1.0
  O  O8  3  0.0  0.0  0.0  1.0
  O  O9  3  0.0  0.0  0.46  1.0

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