data_TaTlO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   6.58
_cell_angle_alpha   49.9
_cell_angle_beta   49.9
_cell_angle_gamma   49.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlO3
_chemical_formula_sum   'Ta2 Tl2 O6'
_cell_volume   153.24
_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  Ta6  1  0.0  0.0  0.32  1.0
  Ta  Ta7  1  0.0  0.0  0.92  1.0
  Tl  Tl8  1  0.0  0.0  0.94  1.0
  Tl  Tl9  1  0.0  0.0  0.29  1.0
  O  O0  1  0.67  0.37  0.33  1.0
  O  O1  1  0.75  0.11  0.33  1.0
  O  O2  1  0.58  0.53  0.33  1.0
  O  O3  1  0.42  0.47  0.91  1.0
  O  O4  1  0.25  0.89  0.91  1.0
  O  O5  1  0.33  0.63  0.91  1.0

data_TaTlO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   6.58
_cell_angle_alpha   65.05
_cell_angle_beta   65.05
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaTlO3
_chemical_formula_sum   'Ta2 Tl2 O6'
_cell_volume   153.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Ta0  2  0.0  0.3  0.2  1.0
  Tl  Tl1  2  0.0  0.33  0.17  1.0
  O  O2  2  0.11  0.71  0.93  1.0
  O  O3  2  0.37  0.71  0.76  1.0
  O  O4  2  0.47  0.29  0.32  1.0

Ta Ta Tl Tl O O O O O O