data_KLiZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiZn2
_chemical_formula_sum   'K1 Li1 Zn2'
_cell_volume   100.46
_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  0.79  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.82  0.82  0.26  1.0
  Zn  Zn3  1  0.82  0.82  0.32  1.0

data_KLiZn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KLiZn2
_chemical_formula_sum   'K2 Li2 Zn4'
_cell_volume   200.91
_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  2  0.0  0.0  0.79  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Zn  Zn2  2  0.32  0.5  0.26  1.0
  Zn  Zn3  2  0.32  0.5  0.32  1.0

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