data_KTl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   4.06
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2Zn
_chemical_formula_sum   'K1 Tl2 Zn1'
_cell_volume   127.11
_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  0.0  0.04  1.0
  Tl  Tl1  1  0.89  0.03  0.35  1.0
  Tl  Tl2  1  0.0  0.0  0.35  1.0
  Zn  Zn3  1  0.89  0.03  0.63  1.0

data_KTl2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.06
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2Zn
_chemical_formula_sum   'K1 Tl2 Zn1'
_cell_volume   127.11
_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  0.0  0.04  1.0
  Tl  Tl1  1  0.0  0.0  0.35  1.0
  Tl  Tl2  1  0.89  0.03  0.35  1.0
  Zn  Zn3  1  0.89  0.03  0.63  1.0

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