data_LiZn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZn2Cl
_chemical_formula_sum   'Li1 Zn2 Cl1'
_cell_volume   76.57
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.73  0.0  0.07  1.0
  Zn  Zn3  1  0.73  0.0  0.05  1.0
  Cl  Cl0  1  0.0  0.0  0.06  1.0

data_LiZn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZn2Cl
_chemical_formula_sum   'Li1 Zn2 Cl1'
_cell_volume   76.57
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.73  0.0  0.05  1.0
  Zn  Zn2  1  0.73  0.0  0.07  1.0
  Cl  Cl3  1  0.0  0.0  0.06  1.0

Li Zn Zn Cl
Li Zn Zn Cl 0 3 o o o 1 2 o o o 