data_HfIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   7.96
_cell_angle_alpha   104.78
_cell_angle_beta   104.78
_cell_angle_gamma   30.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2
_chemical_formula_sum   'Hf2 In4'
_cell_volume   158.81
_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
  Hf  Hf0  1  0.23  0.0  0.91  1.0
  Hf  Hf1  1  0.01  0.0  0.77  1.0
  In  In2  1  0.41  0.0  0.47  1.0
  In  In3  1  0.7  0.0  0.35  1.0
  In  In4  1  0.55  0.0  0.33  1.0
  In  In5  1  0.83  0.0  0.21  1.0

data_HfIn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.35
_cell_length_b   6.4
_cell_length_c   7.96
_cell_angle_alpha   104.78
_cell_angle_beta   90.0
_cell_angle_gamma   105.17
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfIn2
_chemical_formula_sum   'Hf2 In4'
_cell_volume   158.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.39  0.93  1.0
  In  In1  2  0.0  0.08  0.51  1.0
  In  In2  2  0.0  0.21  0.37  1.0

Hf Hf In In In In