data_KLi2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.95
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   93.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Zn
_chemical_formula_sum   'K1 Li2 Zn1'
_cell_volume   104.17
_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
  Li  Li1  1  0.54  0.98  0.69  1.0
  Li  Li2  1  0.35  0.98  0.22  1.0
  Zn  Zn3  1  0.78  0.0  0.96  1.0

data_KLi2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.95
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   93.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Zn
_chemical_formula_sum   'K1 Li2 Zn1'
_cell_volume   104.17
_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
  Li  Li1  1  0.35  0.98  0.22  1.0
  Li  Li2  1  0.54  0.98  0.69  1.0
  Zn  Zn3  1  0.78  0.0  0.96  1.0

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