data_TlSbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   26.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSbO3
_chemical_formula_sum   'Tl2 Sb2 O6'
_cell_volume   658.65
_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
  Tl  Tl0  1  0.33  0.67  0.05  1.0
  Tl  Tl1  1  0.33  0.67  0.25  1.0
  Sb  Sb2  1  0.0  0.0  0.15  1.0
  Sb  Sb3  1  0.67  0.33  0.15  1.0
  O  O4  1  0.95  0.67  0.1  1.0
  O  O5  1  0.33  0.29  0.1  1.0
  O  O6  1  0.71  0.05  0.1  1.0
  O  O7  1  0.71  0.67  0.19  1.0
  O  O8  1  0.95  0.29  0.19  1.0
  O  O9  1  0.33  0.05  0.19  1.0

Tl Tl Sb Sb O O O O O O 0 4 - o o 0 5 o o o 0 6 o + o 1 8 - o o 1 9 o + o 1 7 o o o 2 7 - - o 2 6 - o o 2 8 - o o 2 4 - - o 2 5 o o o 2 9 o o o 3 5 o o o 3 9 o o o 3 7 o o o 3 6 o o o 3 8 o o o 3 4 o o o 
data_TlSbO3
_symmetry_space_group_name_H-M   P-31m
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   26.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   162
_chemical_formula_structural   TlSbO3
_chemical_formula_sum   'Tl2 Sb2 O6'
_cell_volume   658.65
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  '-y, -x, -z'
  8  'y, x, z'
  9  '-x+y, y, -z'
  10  'x-y, -y, z'
  11  'x, x-y, -z'
  12  '-x, -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
  Tl  Tl0  2  0.0  0.0  0.1  1.0
  Sb  Sb1  2  0.33  0.67  0.0  1.0
  O  O2  6  0.0  0.38  0.04  1.0

Tl Tl Sb Sb O O O O O O