data_Er2Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Ti2O7
_chemical_formula_sum   'Er4 Ti4 O14'
_cell_volume   253.25
_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
  Er  Er0  1  0.26  0.26  0.26  1.0
  Er  Er1  1  0.77  0.77  0.26  1.0
  Er  Er2  1  0.26  0.77  0.77  1.0
  Er  Er3  1  0.77  0.26  0.77  1.0
  Ti  Ti18  1  0.77  0.28  0.77  1.0
  Ti  Ti19  1  0.77  0.77  0.28  1.0
  Ti  Ti20  1  0.28  0.28  0.28  1.0
  Ti  Ti21  1  0.28  0.77  0.77  1.0
  O  O4  1  0.51  0.51  0.51  1.0
  O  O5  1  0.02  0.11  0.02  1.0
  O  O6  1  0.02  0.02  0.94  1.0
  O  O7  1  0.94  0.02  0.02  1.0
  O  O8  1  0.53  0.62  0.53  1.0
  O  O9  1  0.45  0.53  0.53  1.0
  O  O10  1  0.53  0.53  0.45  1.0
  O  O11  1  0.02  0.02  0.11  1.0
  O  O12  1  0.11  0.02  0.02  1.0
  O  O13  1  0.02  0.94  0.02  1.0
  O  O14  1  0.53  0.45  0.53  1.0
  O  O15  1  0.53  0.53  0.62  1.0
  O  O16  1  0.62  0.53  0.53  1.0
  O  O17  1  0.0  0.0  0.0  1.0

data_Er2Ti2O7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   17.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Er2Ti2O7
_chemical_formula_sum   'Er12 Ti12 O42'
_cell_volume   759.75
_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
  Er  Er0  9  0.01  0.5  0.74  1.0
  Er  Er1  3  0.0  0.0  0.74  1.0
  Ti  Ti2  9  0.17  0.34  0.06  1.0
  Ti  Ti3  3  0.0  0.0  0.72  1.0
  O  O4  9  0.03  0.06  0.44  1.0
  O  O5  9  0.03  0.06  0.95  1.0
  O  O6  9  0.06  0.03  0.01  1.0
  O  O7  9  0.06  0.03  0.5  1.0
  O  O8  3  0.0  0.0  0.0  1.0
  O  O9  3  0.0  0.0  0.49  1.0

Er Er Er Er Ti Ti Ti Ti O O O O O O O O O O O O O O