data_Y2TmO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TmO4
_chemical_formula_sum   'Y4 Tm2 O8'
_cell_volume   214.52
_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
  Y  Y10  1  0.56  0.56  0.94  1.0
  Y  Y11  1  0.56  0.94  0.56  1.0
  Y  Y12  1  0.94  0.94  0.94  1.0
  Y  Y13  1  0.94  0.56  0.56  1.0
  Tm  Tm8  1  0.0  0.0  0.0  1.0
  Tm  Tm9  1  0.38  0.38  0.38  1.0
  O  O0  1  0.61  0.9  0.9  1.0
  O  O1  1  0.61  0.61  0.61  1.0
  O  O2  1  0.9  0.61  0.9  1.0
  O  O3  1  0.98  0.98  0.27  1.0
  O  O4  1  0.9  0.9  0.61  1.0
  O  O5  1  0.98  0.27  0.98  1.0
  O  O6  1  0.27  0.27  0.27  1.0
  O  O7  1  0.27  0.98  0.98  1.0

data_Y2TmO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   16.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2TmO4
_chemical_formula_sum   'Y12 Tm6 O24'
_cell_volume   643.56
_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
  Y  Y0  9  0.08  0.54  0.98  1.0
  Y  Y1  3  0.0  0.0  0.06  1.0
  Tm  Tm2  3  0.0  0.0  0.0  1.0
  Tm  Tm3  3  0.0  0.0  0.62  1.0
  O  O4  9  0.1  0.19  0.92  1.0
  O  O5  9  0.19  0.1  0.2  1.0
  O  O6  3  0.0  0.0  0.39  1.0
  O  O7  3  0.0  0.0  0.73  1.0

Y Y Y Y Tm Tm O O O O O O O O
Y Y Y Y Tm Tm O O O O O O O O 0 5 o o + 0 13 o o o 0 11 o o o 0 7 o o o 0 3 o o o 0 1 o o o 0 8 o o o 0 6 o o o 1 7 o o o 1 5 o + o 1 13 o o o 1 10 o o o 1 6 o o o 1 3 o o o 1 9 o o o 2 4 + + + 3 11 o o o 3 7 o o o 3 8 o o o 3 5 + o o 3 9 o o o 3 10 o o o 4 9 - - o 4 11 - o - 4 13 o - - 5 12 o o o 6 13 o o o 6 8 o o o 6 10 o o o 8 11 o o o 8 10 o o o 9 10 o o o 9 13 + o - 9 11 o + - 11 13 + - o 