data_Hf3Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Si2
_chemical_formula_sum   'Hf6 Si4'
_cell_volume   181.47
_cell_formula_units_Z   2
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  0.81  0.73  0.84  1.0
  Hf  Hf1  1  0.3  0.81  0.84  1.0
  Hf  Hf2  1  0.22  0.3  0.84  1.0
  Hf  Hf3  1  0.73  0.22  0.84  1.0
  Hf  Hf4  1  0.52  0.52  0.0  1.0
  Hf  Hf5  1  0.0  0.0  0.0  1.0
  Si  Si6  1  0.87  0.39  0.0  1.0
  Si  Si7  1  0.39  0.16  0.0  1.0
  Si  Si8  1  0.64  0.87  0.0  1.0
  Si  Si9  1  0.16  0.64  0.0  1.0

data_Hf3Si2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Si2
_chemical_formula_sum   'Hf6 Si4'
_cell_volume   181.47
_cell_formula_units_Z   2
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  0.0  1.0
  Hf  Hf1  1  0.0  0.52  0.52  1.0
  Hf  Hf2  1  0.84  0.22  0.3  1.0
  Hf  Hf3  1  0.84  0.3  0.81  1.0
  Hf  Hf4  1  0.84  0.73  0.22  1.0
  Hf  Hf5  1  0.84  0.81  0.73  1.0
  Si  Si6  1  0.0  0.16  0.64  1.0
  Si  Si7  1  0.0  0.39  0.16  1.0
  Si  Si8  1  0.0  0.64  0.87  1.0
  Si  Si9  1  0.0  0.87  0.39  1.0

Hf Hf Hf Hf Hf Hf Si Si Si Si
Hf Hf Hf Hf Hf Hf Si Si Si Si 0 8 o o + 0 4 o o + 0 5 + + + 1 9 o o + 1 4 o o + 1 5 o + + 2 7 o o + 2 4 o o + 2 5 o o + 3 6 o o + 3 4 o o + 3 5 + o + 4 7 o o o 4 9 o o o 4 6 o o o 4 8 o o o 5 8 - - o 5 6 - o o 5 9 o - o 5 7 o o o 