data_HfTiIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   146.35
_cell_angle_beta   138.49
_cell_angle_gamma   54.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiIn
_chemical_formula_sum   'Hf1 Ti1 In1'
_cell_volume   61.38
_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  0.0  0.77  1.0
  Ti  Ti2  1  0.0  0.0  0.26  1.0
  In  In1  1  0.0  0.0  0.6  1.0

data_HfTiIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.91
_cell_length_c   5.52
_cell_angle_alpha   110.76
_cell_angle_beta   106.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiIn
_chemical_formula_sum   'Hf1 Ti1 In1'
_cell_volume   61.38
_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  0.77  0.77  1.0
  Ti  Ti1  1  0.0  0.26  0.26  1.0
  In  In2  1  0.0  0.6  0.6  1.0

Hf Ti In
Hf Ti In 0 2 o o o 1 2 o o o 