data_KAl2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   140.5
_cell_angle_beta   121.98
_cell_angle_gamma   72.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl2Tl
_chemical_formula_sum   'K1 Al2 Tl1'
_cell_volume   117.82
_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
  K  K2  1  0.0  0.0  0.79  1.0
  Al  Al0  1  0.0  0.0  0.26  1.0
  Al  Al1  1  0.05  0.0  0.94  1.0
  Tl  Tl3  1  0.0  0.94  0.79  1.0

data_KAl2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   5.88
_cell_length_c   6.06
_cell_angle_alpha   119.01
_cell_angle_beta   109.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAl2Tl
_chemical_formula_sum   'K1 Al2 Tl1'
_cell_volume   117.82
_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
  K  K0  1  0.0  0.79  0.79  1.0
  Al  Al1  1  0.0  0.26  0.26  1.0
  Al  Al2  1  0.0  0.94  0.9  1.0
  Tl  Tl3  1  0.06  0.85  0.85  1.0

K Al Al Tl