data_Ta2SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiO4
_chemical_formula_sum   'Ta4 Si2 O8'
_cell_volume   151.69
_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
  Ta  Ta10  1  0.17  0.17  0.29  1.0
  Ta  Ta11  1  0.17  0.29  0.17  1.0
  Ta  Ta12  1  0.29  0.29  0.29  1.0
  Ta  Ta13  1  0.29  0.17  0.17  1.0
  Si  Si8  1  0.0  0.0  0.0  1.0
  Si  Si9  1  0.12  0.12  0.12  1.0
  O  O0  1  0.17  0.17  0.53  1.0
  O  O1  1  0.05  0.41  0.41  1.0
  O  O2  1  0.05  0.05  0.05  1.0
  O  O3  1  0.41  0.05  0.41  1.0
  O  O4  1  0.17  0.53  0.17  1.0
  O  O5  1  0.53  0.53  0.53  1.0
  O  O6  1  0.53  0.17  0.17  1.0
  O  O7  1  0.41  0.41  0.05  1.0

data_Ta2SiO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   14.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ta2SiO4
_chemical_formula_sum   'Ta12 Si6 O24'
_cell_volume   455.08
_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
  Ta  Ta0  9  0.04  0.08  0.79  1.0
  Ta  Ta1  3  0.0  0.0  0.71  1.0
  Si  Si2  3  0.0  0.0  0.0  1.0
  Si  Si3  3  0.0  0.0  0.88  1.0
  O  O4  9  0.09  0.55  0.38  1.0
  O  O5  9  0.21  0.43  0.37  1.0
  O  O6  3  0.0  0.0  0.47  1.0
  O  O7  3  0.0  0.0  0.95  1.0

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