data_AlTl2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   149.95
_cell_angle_beta   127.47
_cell_angle_gamma   61.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Cl
_chemical_formula_sum   'Al1 Tl2 Cl1'
_cell_volume   109.03
_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
  Al  Al0  1  0.0  0.0  0.81  1.0
  Tl  Tl2  1  0.0  0.0  0.03  1.0
  Tl  Tl3  1  0.69  0.0  0.19  1.0
  Cl  Cl1  1  0.0  0.88  0.16  1.0

data_AlTl2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.77
_cell_length_c   6.52
_cell_angle_alpha   116.27
_cell_angle_beta   105.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Cl
_chemical_formula_sum   'Al1 Tl2 Cl1'
_cell_volume   109.03
_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
  Al  Al0  1  0.19  0.19  0.19  1.0
  Tl  Tl1  1  0.5  0.81  0.5  1.0
  Tl  Tl2  1  0.97  0.97  0.97  1.0
  Cl  Cl3  1  0.84  0.72  0.72  1.0

Al Tl Tl Cl