data_Tb2TaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2TaO4
_chemical_formula_sum   'Tb4 Ta2 O8'
_cell_volume   204.73
_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  0.51  0.51  0.85  1.0
  Tb  Tb11  1  0.51  0.85  0.51  1.0
  Tb  Tb12  1  0.85  0.51  0.51  1.0
  Tb  Tb13  1  0.85  0.85  0.85  1.0
  Ta  Ta8  1  0.0  0.0  0.0  1.0
  Ta  Ta9  1  0.34  0.34  0.34  1.0
  O  O0  1  0.79  0.79  0.24  1.0
  O  O1  1  0.45  0.45  0.45  1.0
  O  O2  1  0.45  0.9  0.9  1.0
  O  O3  1  0.9  0.45  0.9  1.0
  O  O4  1  0.79  0.24  0.79  1.0
  O  O5  1  0.24  0.24  0.24  1.0
  O  O6  1  0.24  0.79  0.79  1.0
  O  O7  1  0.9  0.9  0.45  1.0

data_Tb2TaO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   16.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tb2TaO4
_chemical_formula_sum   'Tb12 Ta6 O24'
_cell_volume   614.2
_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  0.11  0.55  0.05  1.0
  Tb  Tb1  3  0.0  0.0  0.15  1.0
  Ta  Ta2  3  0.0  0.0  0.0  1.0
  Ta  Ta3  3  0.0  0.0  0.66  1.0
  O  O4  9  0.03  0.52  0.72  1.0
  O  O5  9  0.18  0.37  0.91  1.0
  O  O6  3  0.0  0.0  0.55  1.0
  O  O7  3  0.0  0.0  0.76  1.0

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