data_Ba2TlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   8.72
_cell_angle_alpha   103.72
_cell_angle_beta   103.72
_cell_angle_gamma   55.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlSb
_chemical_formula_sum   'Ba2 Tl1 Sb1'
_cell_volume   188.06
_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  0.27  0.0  0.79  1.0
  Ba  Ba1  1  0.63  0.0  0.61  1.0
  Tl  Tl3  1  0.45  0.0  0.2  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0

data_Ba2TlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.85
_cell_length_b   5.21
_cell_length_c   8.72
_cell_angle_alpha   103.72
_cell_angle_beta   90.0
_cell_angle_gamma   117.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlSb
_chemical_formula_sum   'Ba2 Tl1 Sb1'
_cell_volume   188.06
_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  0.0  0.37  0.39  1.0
  Ba  Ba1  1  0.0  0.73  0.21  1.0
  Tl  Tl2  1  0.0  0.55  0.8  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Ba Ba Tl Sb