data_BaTl2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   5.33
_cell_angle_alpha   113.48
_cell_angle_beta   113.48
_cell_angle_gamma   45.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2Te
_chemical_formula_sum   'Ba1 Tl2 Te1'
_cell_volume   141.03
_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  0.64  0.0  0.37  1.0
  Tl  Tl2  1  0.21  0.0  0.15  1.0
  Tl  Tl3  1  0.2  0.0  0.64  1.0
  Te  Te1  1  0.25  0.0  0.05  1.0

data_BaTl2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   5.33
_cell_length_c   6.42
_cell_angle_alpha   113.48
_cell_angle_beta   112.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2Te
_chemical_formula_sum   'Ba1 Tl2 Te1'
_cell_volume   141.03
_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  0.37  0.64  1.0
  Tl  Tl1  1  0.0  0.15  0.21  1.0
  Tl  Tl2  1  0.0  0.64  0.2  1.0
  Te  Te3  1  0.0  0.05  0.25  1.0

Ba Tl Tl Te
Ba Tl Tl Te 0 3 o o o 0 1 o o o 1 3 o o o 2 3 o o + 