data_Tm2RhO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2RhO4
_chemical_formula_sum   'Tm4 Rh2 O8'
_cell_volume   202.35
_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
  Tm  Tm10  1  0.49  0.49  0.82  1.0
  Tm  Tm11  1  0.82  0.49  0.49  1.0
  Tm  Tm12  1  0.49  0.82  0.49  1.0
  Tm  Tm13  1  0.82  0.82  0.82  1.0
  Rh  Rh8  1  0.0  0.0  0.0  1.0
  Rh  Rh9  1  0.33  0.33  0.33  1.0
  O  O0  1  0.6  0.6  0.6  1.0
  O  O1  1  0.6  0.72  0.72  1.0
  O  O2  1  0.72  0.6  0.72  1.0
  O  O3  1  0.93  0.93  0.05  1.0
  O  O4  1  0.72  0.72  0.6  1.0
  O  O5  1  0.93  0.05  0.93  1.0
  O  O6  1  0.05  0.93  0.93  1.0
  O  O7  1  0.05  0.05  0.05  1.0

data_Tm2RhO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   16.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tm2RhO4
_chemical_formula_sum   'Tm12 Rh6 O24'
_cell_volume   607.05
_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
  Tm  Tm0  9  0.11  0.22  0.4  1.0
  Tm  Tm1  3  0.0  0.0  0.18  1.0
  Rh  Rh2  3  0.0  0.0  0.0  1.0
  Rh  Rh3  3  0.0  0.0  0.67  1.0
  O  O4  9  0.04  0.08  0.03  1.0
  O  O5  9  0.08  0.04  0.32  1.0
  O  O6  3  0.0  0.0  0.4  1.0
  O  O7  3  0.0  0.0  0.95  1.0

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