data_Er2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   139.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2TiO5
_chemical_formula_sum   'Er4 Ti2 O10'
_cell_volume   233.03
_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  0.04  0.91  0.5  1.0
  Er  Er1  1  0.04  0.91  0.73  1.0
  Er  Er2  1  0.04  0.09  0.95  1.0
  Er  Er3  1  0.04  0.09  0.73  1.0
  Ti  Ti4  1  0.04  0.58  0.84  1.0
  Ti  Ti5  1  0.04  0.42  0.61  1.0
  O  O6  1  0.04  0.91  0.16  1.0
  O  O7  1  0.04  0.91  0.52  1.0
  O  O8  1  0.04  0.72  0.28  1.0
  O  O9  1  0.04  0.72  0.94  1.0
  O  O10  1  0.04  0.5  0.61  1.0
  O  O11  1  0.04  0.5  0.84  1.0
  O  O12  1  0.04  0.28  0.17  1.0
  O  O13  1  0.04  0.28  0.51  1.0
  O  O14  1  0.04  0.09  0.29  1.0
  O  O15  1  0.04  0.09  0.94  1.0

data_Er2TiO5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.07
_cell_length_b   5.84
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.4
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Er2TiO5
_chemical_formula_sum   'Er4 Ti2 O10'
_cell_volume   233.03
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.09  0.09  0.27  1.0
  Er  Er1  2  0.09  0.09  0.5  1.0
  Ti  Ti2  2  0.42  0.42  0.61  1.0
  O  O3  2  0.09  0.09  0.29  1.0
  O  O4  2  0.09  0.09  0.94  1.0
  O  O5  2  0.28  0.28  0.06  1.0
  O  O6  2  0.28  0.28  0.72  1.0
  O  O7  2  0.5  0.5  0.39  1.0

Er Er Er Er Ti Ti O O O O O O O O O O
Er Er Er Er Ti Ti O O O O O O O O O O 0 7 o o o 1 3 o + o 2 15 o o o 4 11 o o o 4 9 o o o 5 10 o o o 5 13 o o o 6 14 o + o 6 8 o o o 12 14 o o o 