data_Ba2TlTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlTe
_chemical_formula_sum   'Ba2 Tl1 Te1'
_cell_volume   157.06
_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  0.0  0.59  1.0
  Ba  Ba1  1  0.97  0.0  0.07  1.0
  Tl  Tl3  1  0.0  0.0  0.33  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0

data_Ba2TlTe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2TlTe
_chemical_formula_sum   'Ba2 Tl1 Te1'
_cell_volume   157.14
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.07  1.0
  Ba  Ba1  1  0.97  0.0  0.59  1.0
  Tl  Tl2  1  0.0  0.0  0.33  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Ba Ba Tl Te