data_HfIn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   5.15
_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   HfIn2Cl
_chemical_formula_sum   'Hf1 In2 Cl1'
_cell_volume   91.72
_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  Hf1  1  0.6  0.57  0.0  1.0
  In  In2  1  0.6  0.0  0.78  1.0
  In  In3  1  0.0  0.57  0.78  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HfIn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.15
_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   HfIn2Cl
_chemical_formula_sum   'Hf1 In2 Cl1'
_cell_volume   91.72
_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  0.6  0.57  0.0  1.0
  In  In1  1  0.0  0.57  0.78  1.0
  In  In2  1  0.6  0.0  0.78  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf In In Cl
Hf In In Cl 0 2 + o - 1 3 + o + 