data_HfFe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.66
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2Cl
_chemical_formula_sum   'Hf1 Fe2 Cl1'
_cell_volume   64.9
_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
  Hf  Hf3  1  0.0  0.0  0.78  1.0
  Fe  Fe1  1  0.59  0.83  0.67  1.0
  Fe  Fe2  1  0.59  0.83  0.9  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HfFe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.66
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2Cl
_chemical_formula_sum   'Hf1 Fe2 Cl1'
_cell_volume   64.9
_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
  Hf  Hf0  1  0.0  0.0  0.78  1.0
  Fe  Fe1  1  0.59  0.83  0.67  1.0
  Fe  Fe2  1  0.59  0.83  0.9  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf Fe Fe Cl