data_Hf3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   149.64
_cell_angle_beta   62.96
_cell_angle_gamma   126.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3In
_chemical_formula_sum   'Hf3 In1'
_cell_volume   88.84
_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  0.58  0.47  0.72  1.0
  Hf  Hf1  1  0.58  0.53  0.72  1.0
  Hf  Hf2  1  0.0  0.15  0.86  1.0
  In  In3  1  0.0  0.0  0.79  1.0

data_Hf3In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.46
_cell_length_c   6.04
_cell_angle_alpha   116.86
_cell_angle_beta   105.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3In
_chemical_formula_sum   'Hf3 In1'
_cell_volume   88.84
_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  0.72  0.2  0.78  1.0
  Hf  Hf1  1  0.72  0.25  0.83  1.0
  Hf  Hf2  1  0.86  0.71  0.71  1.0
  In  In3  1  0.79  0.79  0.79  1.0

Hf Hf Hf In