data_Hf3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.6
_cell_length_b   8.6
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3In5
_chemical_formula_sum   'Hf6 In10'
_cell_volume   374.02
_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  0.1  0.0  0.46  1.0
  Hf  Hf1  1  0.51  0.0  0.37  1.0
  Hf  Hf2  1  0.45  0.42  0.46  1.0
  Hf  Hf3  1  0.75  0.04  0.46  1.0
  Hf  Hf4  1  0.55  0.42  0.37  1.0
  Hf  Hf5  1  0.25  0.04  0.37  1.0
  In  In6  1  0.0  0.97  0.0  1.0
  In  In7  1  0.3  0.48  0.92  1.0
  In  In8  1  0.3  0.48  0.0  1.0
  In  In9  1  0.0  0.97  0.92  1.0
  In  In10  1  0.9  0.0  0.46  1.0
  In  In11  1  0.7  0.0  0.37  1.0
  In  In12  1  0.05  0.65  0.46  1.0
  In  In13  1  0.35  0.8  0.46  1.0
  In  In14  1  0.95  0.65  0.37  1.0
  In  In15  1  0.65  0.8  0.37  1.0

data_Hf3In5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   8.6
_cell_length_c   8.6
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3In5
_chemical_formula_sum   'Hf6 In10'
_cell_volume   374.02
_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  0.37  0.25  0.04  1.0
  Hf  Hf1  1  0.37  0.51  0.0  1.0
  Hf  Hf2  1  0.37  0.55  0.42  1.0
  Hf  Hf3  1  0.46  0.1  0.0  1.0
  Hf  Hf4  1  0.46  0.45  0.42  1.0
  Hf  Hf5  1  0.46  0.75  0.04  1.0
  In  In6  1  0.0  -0.0  0.97  1.0
  In  In7  1  0.0  0.3  0.48  1.0
  In  In8  1  0.37  0.65  0.8  1.0
  In  In9  1  0.37  0.7  0.0  1.0
  In  In10  1  0.37  0.95  0.65  1.0
  In  In11  1  0.46  0.05  0.65  1.0
  In  In12  1  0.46  0.35  0.8  1.0
  In  In13  1  0.46  0.9  0.0  1.0
  In  In14  1  0.92  -0.0  0.97  1.0
  In  In15  1  0.92  0.3  0.48  1.0

Hf Hf Hf Hf Hf Hf In In In In In In In In In In