data_Ba2TlSb2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   13.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlSb2O7
_chemical_formula_sum   'Ba2 Tl1 Sb2 O7'
_cell_volume   210.81
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.0  0.0  0.6  1.0
  Ba  Ba1  1  0.0  0.0  0.89  1.0
  Tl  Tl2  1  0.98  0.98  0.0  1.0
  Sb  Sb3  1  0.98  0.98  0.24  1.0
  Sb  Sb4  1  0.98  0.98  0.25  1.0
  O  O5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.98  0.0  0.74  1.0
  O  O7  1  0.0  0.98  0.74  1.0
  O  O8  1  0.98  0.0  0.75  1.0
  O  O9  1  0.0  0.98  0.75  1.0
  O  O10  1  0.98  0.98  0.11  1.0
  O  O11  1  0.98  0.98  0.38  1.0

data_Ba2TlSb2O7
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   13.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2TlSb2O7
_chemical_formula_sum   'Ba4 Tl2 Sb4 O14'
_cell_volume   421.62
_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  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.6  1.0
  Ba  Ba1  2  0.0  0.0  0.89  1.0
  Tl  Tl2  2  0.48  0.5  -0.0  1.0
  Sb  Sb3  2  0.48  0.5  0.24  1.0
  Sb  Sb4  2  0.48  0.5  0.25  1.0
  O  O5  4  0.49  0.49  0.74  1.0
  O  O6  4  0.49  0.49  0.75  1.0
  O  O7  2  0.0  0.0  0.0  1.0
  O  O8  2  0.48  0.5  0.11  1.0
  O  O9  2  0.48  0.5  0.38  1.0

Ba Ba Tl Sb Sb O O O O O O O