data_Ba2TlBi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   15.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlBi2O7
_chemical_formula_sum   'Ba2 Tl1 Bi2 O7'
_cell_volume   242.89
_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  0.8  1.0
  Ba  Ba1  1  0.0  0.0  0.86  1.0
  Tl  Tl2  1  0.97  0.97  0.0  1.0
  Bi  Bi3  1  0.97  0.97  0.76  1.0
  Bi  Bi4  1  0.97  0.97  0.9  1.0
  O  O5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.97  0.0  0.79  1.0
  O  O7  1  0.0  0.97  0.79  1.0
  O  O8  1  0.97  0.0  0.86  1.0
  O  O9  1  0.0  0.97  0.86  1.0
  O  O10  1  0.97  0.97  0.03  1.0
  O  O11  1  0.97  0.97  0.62  1.0

data_Ba2TlBi2O7
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   15.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2TlBi2O7
_chemical_formula_sum   'Ba4 Tl2 Bi4 O14'
_cell_volume   485.78
_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  0.8  1.0
  Ba  Ba1  2  0.0  0.0  0.86  1.0
  Tl  Tl2  2  0.47  0.5  -0.0  1.0
  Bi  Bi3  2  0.47  0.5  0.76  1.0
  Bi  Bi4  2  0.47  0.5  0.9  1.0
  O  O5  4  0.48  0.48  0.79  1.0
  O  O6  4  0.48  0.48  0.86  1.0
  O  O7  2  0.0  0.0  0.0  1.0
  O  O8  2  0.47  0.5  0.03  1.0
  O  O9  2  0.47  0.5  0.62  1.0

Ba Ba Tl Bi Bi O O O O O O O
Ba Ba Tl Bi Bi O O O O O O O 0 6 - o o 0 7 o - o 0 3 - - o 1 8 - o o 1 9 o - o 1 4 - - o 2 5 + + o 2 10 o o o 3 7 + o o 3 6 o + o 3 11 o o o 4 9 + o o 4 8 o + o 5 10 - - o 6 7 + - o 8 9 + - o 