data_KTlZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   4.42
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlZn2
_chemical_formula_sum   'K1 Tl1 Zn2'
_cell_volume   114.46
_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  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.72  1.0
  Zn  Zn2  1  0.74  0.21  0.11  1.0
  Zn  Zn3  1  0.74  0.21  0.34  1.0

data_KTlZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.42
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlZn2
_chemical_formula_sum   'K1 Tl1 Zn2'
_cell_volume   114.46
_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  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.72  1.0
  Zn  Zn2  1  0.74  0.21  0.11  1.0
  Zn  Zn3  1  0.74  0.21  0.34  1.0

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