data_Tb2PaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2PaO4
_chemical_formula_sum   'Tb4 Pa2 O8'
_cell_volume   231.08
_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
  Tb  Tb10  1  0.65  0.65  0.09  1.0
  Tb  Tb11  1  0.65  0.09  0.65  1.0
  Tb  Tb12  1  0.09  0.65  0.65  1.0
  Tb  Tb13  1  0.09  0.09  0.09  1.0
  Pa  Pa8  1  0.0  0.0  0.0  1.0
  Pa  Pa9  1  0.44  0.44  0.44  1.0
  O  O0  1  0.76  0.76  0.76  1.0
  O  O1  1  0.76  0.98  0.98  1.0
  O  O2  1  0.98  0.76  0.98  1.0
  O  O3  1  0.2  0.2  0.42  1.0
  O  O4  1  0.98  0.98  0.76  1.0
  O  O5  1  0.2  0.42  0.2  1.0
  O  O6  1  0.42  0.42  0.42  1.0
  O  O7  1  0.42  0.2  0.2  1.0

data_Tb2PaO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   16.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tb2PaO4
_chemical_formula_sum   'Tb12 Pa6 O24'
_cell_volume   693.23
_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
  Tb  Tb0  9  0.04  0.52  0.87  1.0
  Tb  Tb1  3  0.0  0.0  0.91  1.0
  Pa  Pa2  3  0.0  0.0  0.0  1.0
  Pa  Pa3  3  0.0  0.0  0.56  1.0
  O  O4  9  0.07  0.15  0.73  1.0
  O  O5  9  0.15  0.07  0.09  1.0
  O  O6  3  0.0  0.0  0.24  1.0
  O  O7  3  0.0  0.0  0.58  1.0

Tb Tb Tb Tb Pa Pa O O O O O O O O
Tb Tb Tb Tb Pa Pa O O O O O O O O 0 12 o o o 0 5 o o o 0 6 o o - 0 8 o o - 0 7 o o - 1 6 o - o 1 12 o o o 1 5 o o o 1 10 o - o 1 7 o - o 2 6 - o o 2 8 - o o 2 12 o o o 2 5 o o o 2 10 - o o 3 4 o o o 4 10 - - - 4 8 - - - 4 7 - - - 5 12 o o o 7 8 o o o 7 10 o o o 8 10 o o o 9 13 o o o 9 11 o o o 11 13 o o o 