data_HfFe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.89
_cell_angle_alpha   110.8
_cell_angle_beta   110.8
_cell_angle_gamma   37.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2Cl
_chemical_formula_sum   'Hf1 Fe2 Cl1'
_cell_volume   61.8
_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  0.7  0.0  0.53  1.0
  Fe  Fe1  1  0.7  0.0  0.27  1.0
  Fe  Fe2  1  0.96  0.0  0.88  1.0
  Cl  Cl0  1  0.28  0.0  0.12  1.0

data_HfFe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.73
_cell_length_c   4.89
_cell_angle_alpha   110.8
_cell_angle_beta   90.0
_cell_angle_gamma   108.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2Cl
_chemical_formula_sum   'Hf1 Fe2 Cl1'
_cell_volume   61.8
_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  0.3  0.47  1.0
  Fe  Fe1  1  0.0  0.04  0.12  1.0
  Fe  Fe2  1  0.0  0.3  0.73  1.0
  Cl  Cl3  1  0.0  0.72  0.88  1.0

Hf Fe Fe Cl