data_BaTbAgTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   11.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTbAgTe3
_chemical_formula_sum   'Ba2 Tb2 Ag2 Te6'
_cell_volume   399.52
_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
  Ba  Ba0  1  0.28  0.87  0.67  1.0
  Ba  Ba1  1  0.28  0.13  0.89  1.0
  Tb  Tb2  1  0.0  0.0  0.0  1.0
  Tb  Tb3  1  0.0  0.0  0.78  1.0
  Ag  Ag4  1  0.28  0.53  0.67  1.0
  Ag  Ag5  1  0.28  0.47  0.89  1.0
  Te  Te6  1  0.28  0.9  0.97  1.0
  Te  Te7  1  0.28  0.1  0.6  1.0
  Te  Te8  1  0.28  0.9  0.38  1.0
  Te  Te9  1  0.28  0.1  0.19  1.0
  Te  Te10  1  0.28  0.62  0.67  1.0
  Te  Te11  1  0.28  0.38  0.89  1.0

data_BaTbAgTe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   7.92
_cell_length_c   11.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTbAgTe3
_chemical_formula_sum   'Ba2 Tb2 Ag2 Te6'
_cell_volume   399.52
_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
  Ba  Ba0  1  0.13  0.41  0.67  1.0
  Ba  Ba1  1  0.87  0.14  0.89  1.0
  Tb  Tb2  1  0.0  0.0  0.0  1.0
  Tb  Tb3  1  0.0  0.0  0.78  1.0
  Ag  Ag4  1  0.47  0.75  0.67  1.0
  Ag  Ag5  1  0.53  0.8  0.89  1.0
  Te  Te6  1  0.1  0.38  0.38  1.0
  Te  Te7  1  0.1  0.38  0.97  1.0
  Te  Te8  1  0.38  0.65  0.67  1.0
  Te  Te9  1  0.62  0.9  0.89  1.0
  Te  Te10  1  0.9  0.17  0.19  1.0
  Te  Te11  1  0.9  0.17  0.6  1.0

Ba Ba Tb Tb Ag Ag Te Te Te Te Te Te
Ba Ba Tb Tb Ag Ag Te Te Te Te Te Te 0 7 o + o 0 10 o o o 0 8 o o o 1 3 o o o 1 2 o o + 1 11 o o o 1 6 o - o 2 11 o o - 2 9 o o o 3 11 o o o 4 10 o o o 5 11 o o o 6 9 o + + 7 8 o - o 8 9 o + o 