data_HfIn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.26
_cell_angle_alpha   98.64
_cell_angle_beta   98.64
_cell_angle_gamma   31.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Sb
_chemical_formula_sum   'Hf1 In2 Sb1'
_cell_volume   95.94
_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  0.33  0.0  0.6  1.0
  In  In1  1  0.14  0.0  0.84  1.0
  In  In2  1  0.53  0.0  0.35  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_HfIn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.26
_cell_length_c   5.97
_cell_angle_alpha   98.64
_cell_angle_beta   105.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Sb
_chemical_formula_sum   'Hf1 In2 Sb1'
_cell_volume   95.94
_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  0.6  0.33  1.0
  In  In1  1  0.0  0.35  0.53  1.0
  In  In2  1  0.0  0.84  0.14  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Hf In In Sb
Hf In In Sb 0 1 o o o 0 2 o o o 1 3 o o + 