data_BaTlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.2
_cell_length_c   4.22
_cell_angle_alpha   73.45
_cell_angle_beta   72.6
_cell_angle_gamma   33.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTlCl
_chemical_formula_sum   'Ba1 Tl1 Cl1'
_cell_volume   116.8
_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  0.94  0.02  0.52  1.0
  Tl  Tl2  1  0.94  0.02  0.59  1.0
  Cl  Cl1  1  0.94  0.02  0.03  1.0

data_BaTlCl
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   4.22
_cell_length_b   13.15
_cell_length_c   4.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   BaTlCl
_chemical_formula_sum   'Ba2 Tl2 Cl2'
_cell_volume   233.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.0  0.54  1.0
  Tl  Tl1  2  0.0  0.0  0.61  1.0
  Cl  Cl2  2  0.0  0.0  0.05  1.0

Ba Tl Cl