data_Li2ZrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZrCl
_chemical_formula_sum   'Li2 Zr1 Cl1'
_cell_volume   78.46
_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
  Li  Li1  1  0.67  0.0  0.64  1.0
  Li  Li2  1  0.67  0.0  0.24  1.0
  Zr  Zr3  1  0.0  0.0  0.44  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Li2ZrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZrCl
_chemical_formula_sum   'Li2 Zr1 Cl1'
_cell_volume   78.46
_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
  Li  Li0  1  0.67  0.0  0.24  1.0
  Li  Li1  1  0.67  0.0  0.64  1.0
  Zr  Zr2  1  0.0  0.0  0.44  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Li Li Zr Cl
Li Li Zr Cl 0 2 + o o 1 3 + o o 1 2 + o o 