data_Li2FeCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   119.7
_cell_angle_beta   119.29
_cell_angle_gamma   90.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeCl4
_chemical_formula_sum   'Li4 Fe2 Cl8'
_cell_volume   283.02
_cell_formula_units_Z   2
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  0.15  0.86  0.58  1.0
  Li  Li1  1  0.85  0.86  0.58  1.0
  Li  Li2  1  0.69  0.86  0.65  1.0
  Li  Li3  1  0.0  0.86  0.5  1.0
  Fe  Fe4  1  0.0  0.72  0.0  1.0
  Fe  Fe5  1  0.0  0.0  0.0  1.0
  Cl  Cl6  1  0.7  0.86  0.03  1.0
  Cl  Cl7  1  0.99  0.14  0.19  1.0
  Cl  Cl8  1  0.0  0.08  0.43  1.0
  Cl  Cl9  1  0.0  0.63  0.43  1.0
  Cl  Cl10  1  0.99  0.86  0.13  1.0
  Cl  Cl11  1  0.7  0.57  0.97  1.0
  Cl  Cl12  1  0.69  0.63  0.73  1.0
  Cl  Cl13  1  0.69  0.08  0.73  1.0

data_Li2FeCl4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   90.87
_cell_angle_beta   119.29
_cell_angle_gamma   119.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeCl4
_chemical_formula_sum   'Li4 Fe2 Cl8'
_cell_volume   283.02
_cell_formula_units_Z   2
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  0.5  0.5  0.65  1.0
  Li  Li1  1  0.58  0.43  0.72  1.0
  Li  Li2  1  0.58  0.73  0.72  1.0
  Li  Li3  1  0.65  0.96  0.8  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.0  0.0  0.28  1.0
  Cl  Cl6  1  0.03  0.33  0.17  1.0
  Cl  Cl7  1  0.13  0.14  0.27  1.0
  Cl  Cl8  1  0.19  0.2  0.05  1.0
  Cl  Cl9  1  0.43  0.43  0.34  1.0
  Cl  Cl10  1  0.43  0.43  0.8  1.0
  Cl  Cl11  1  0.73  0.04  0.1  1.0
  Cl  Cl12  1  0.73  0.04  0.65  1.0
  Cl  Cl13  1  0.97  0.27  0.4  1.0

Li Li Li Li Fe Fe Cl Cl Cl Cl Cl Cl Cl Cl