data_HfInSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   139.4
_cell_angle_beta   138.51
_cell_angle_gamma   59.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInSi2
_chemical_formula_sum   'Hf1 In1 Si2'
_cell_volume   73.95
_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  0.97  0.06  1.0
  In  In1  1  0.0  0.0  0.37  1.0
  Si  Si2  1  0.93  0.0  0.08  1.0
  Si  Si3  1  0.0  0.0  0.17  1.0

data_HfInSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.95
_cell_length_c   5.57
_cell_angle_alpha   110.74
_cell_angle_beta   110.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfInSi2
_chemical_formula_sum   'Hf1 In1 Si2'
_cell_volume   73.95
_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  0.03  0.09  0.09  1.0
  In  In1  1  0.0  0.37  0.37  1.0
  Si  Si2  1  0.0  0.08  0.15  1.0
  Si  Si3  1  0.0  0.17  0.17  1.0

Hf In Si Si