data_BaAlTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   7.1
_cell_angle_alpha   110.03
_cell_angle_beta   110.03
_cell_angle_gamma   57.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlTl2
_chemical_formula_sum   'Ba1 Al1 Tl2'
_cell_volume   132.02
_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  Ba1  1  0.81  0.0  0.8  1.0
  Al  Al0  1  0.87  0.0  0.5  1.0
  Tl  Tl2  1  0.81  0.0  0.05  1.0
  Tl  Tl3  1  0.04  0.0  1.0  1.0

data_BaAlTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.9
_cell_length_c   7.1
_cell_angle_alpha   110.03
_cell_angle_beta   90.0
_cell_angle_gamma   118.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlTl2
_chemical_formula_sum   'Ba1 Al1 Tl2'
_cell_volume   132.02
_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  0.19  0.2  1.0
  Al  Al1  1  0.0  0.13  0.5  1.0
  Tl  Tl2  1  0.0  0.19  0.95  1.0
  Tl  Tl3  1  0.0  0.96  0.0  1.0

Ba Al Tl Tl