data_AlFe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   132.5
_cell_angle_beta   132.5
_cell_angle_gamma   69.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2Cl
_chemical_formula_sum   'Al1 Fe2 Cl1'
_cell_volume   56.48
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.89  1.0
  Fe  Fe3  1  0.0  0.91  0.94  1.0
  Cl  Cl1  1  0.91  0.0  0.94  1.0

data_AlFe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   4.73
_cell_angle_alpha   113.75
_cell_angle_beta   113.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2Cl
_chemical_formula_sum   'Al1 Fe2 Cl1'
_cell_volume   56.48
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.11  0.0  0.11  1.0
  Fe  Fe2  1  0.96  0.91  0.96  1.0
  Cl  Cl3  1  0.06  0.0  0.96  1.0

Al Fe Fe Cl