data_Ba2TlTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlTe
_chemical_formula_sum   'Ba2 Tl1 Te1'
_cell_volume   154.45
_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  0.97  0.68  0.11  1.0
  Ba  Ba1  1  0.97  0.32  0.11  1.0
  Tl  Tl3  1  0.95  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0

data_Ba2TlTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   99.14
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlTe
_chemical_formula_sum   'Ba2 Tl1 Te1'
_cell_volume   154.45
_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  0.11  0.97  0.32  1.0
  Ba  Ba1  1  0.11  0.97  0.68  1.0
  Tl  Tl2  1  -0.0  0.95  0.0  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Ba Ba Tl Te