data_K2NaTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NaTl
_chemical_formula_sum   'K2 Na1 Tl1'
_cell_volume   178.83
_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  0.9  0.0  0.67  1.0
  K  K1  1  0.0  0.9  0.67  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.9  0.9  0.0  1.0

data_K2NaTl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2NaTl
_chemical_formula_sum   'K4 Na2 Tl2'
_cell_volume   357.65
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.45  0.45  0.67  1.0
  Na  Na1  2  0.0  0.0  0.0  1.0
  Tl  Tl2  2  0.4  0.5  0.0  1.0

K K Na Tl
K K Na Tl 0 1 + - o 2 3 - - o 