data_HfIn2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   6.25
_cell_angle_alpha   149.05
_cell_angle_beta   129.91
_cell_angle_gamma   60.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Sn
_chemical_formula_sum   'Hf1 In2 Sn1'
_cell_volume   95.59
_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  0.41  1.0
  In  In1  1  0.0  0.65  0.64  1.0
  In  In2  1  0.67  0.0  0.78  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_HfIn2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.29
_cell_length_c   6.25
_cell_angle_alpha   115.04
_cell_angle_beta   105.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Sn
_chemical_formula_sum   'Hf1 In2 Sn1'
_cell_volume   95.59
_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  0.59  0.59  0.59  1.0
  In  In1  1  0.36  0.01  0.01  1.0
  In  In2  1  0.89  0.22  0.89  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

Hf In In Sn