data_Hf8FeTe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   26.03
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf8FeTe6
_chemical_formula_sum   'Hf16 Fe2 Te12'
_cell_volume   747.21
_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  Hf2  1  0.87  0.02  0.36  1.0
  Hf  Hf3  1  0.87  0.33  0.83  1.0
  Hf  Hf4  1  0.87  0.71  0.83  1.0
  Hf  Hf5  1  0.0  0.02  0.41  1.0
  Hf  Hf6  1  0.87  0.87  0.29  1.0
  Hf  Hf7  1  0.87  0.16  0.29  1.0
  Hf  Hf8  1  0.87  0.44  0.29  1.0
  Hf  Hf9  1  0.87  0.59  0.29  1.0
  Hf  Hf10  1  0.0  0.46  0.39  1.0
  Hf  Hf11  1  0.0  0.58  0.39  1.0
  Hf  Hf12  1  0.0  0.86  0.39  1.0
  Hf  Hf13  1  0.0  0.18  0.39  1.0
  Hf  Hf14  1  0.87  0.0  0.27  1.0
  Hf  Hf15  1  0.0  0.31  0.85  1.0
  Hf  Hf16  1  0.0  0.72  0.85  1.0
  Hf  Hf17  1  0.0  0.0  0.31  1.0
  Fe  Fe0  1  0.0  0.0  0.35  1.0
  Fe  Fe1  1  0.87  0.02  0.33  1.0
  Te  Te18  1  0.0  0.88  0.54  1.0
  Te  Te19  1  0.0  0.15  0.54  1.0
  Te  Te20  1  0.0  1.0  0.14  1.0
  Te  Te21  1  0.0  0.04  0.14  1.0
  Te  Te22  1  0.87  0.75  0.55  1.0
  Te  Te23  1  0.87  0.28  0.55  1.0
  Te  Te24  1  0.0  0.77  0.13  1.0
  Te  Te25  1  0.0  0.27  0.13  1.0
  Te  Te26  1  0.87  0.98  0.54  1.0
  Te  Te27  1  0.87  0.05  0.54  1.0
  Te  Te28  1  0.87  0.9  0.14  1.0
  Te  Te29  1  0.87  0.13  0.14  1.0

data_Hf8FeTe6
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   7.68
_cell_length_c   26.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf8FeTe6
_chemical_formula_sum   'Hf16 Fe2 Te12'
_cell_volume   747.21
_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  0.15  0.28  1.0
  Hf  Hf1  1  0.0  0.15  0.69  1.0
  Hf  Hf2  1  0.0  0.59  0.98  1.0
  Hf  Hf3  1  0.0  0.61  0.42  1.0
  Hf  Hf4  1  0.0  0.61  0.54  1.0
  Hf  Hf5  1  0.0  0.61  0.14  1.0
  Hf  Hf6  1  0.0  0.61  0.82  1.0
  Hf  Hf7  1  0.0  0.69  0.0  1.0
  Hf  Hf8  1  0.13  0.17  0.29  1.0
  Hf  Hf9  1  0.13  0.17  0.67  1.0
  Hf  Hf10  1  0.13  0.64  0.98  1.0
  Hf  Hf11  1  0.13  0.71  0.13  1.0
  Hf  Hf12  1  0.13  0.71  0.84  1.0
  Hf  Hf13  1  0.13  0.71  0.41  1.0
  Hf  Hf14  1  0.13  0.71  0.56  1.0
  Hf  Hf15  1  0.13  0.73  0.0  1.0
  Fe  Fe16  1  0.0  0.65  0.0  1.0
  Fe  Fe17  1  0.13  0.67  0.98  1.0
  Te  Te18  1  0.0  0.46  0.12  1.0
  Te  Te19  1  0.0  0.46  0.85  1.0
  Te  Te20  1  0.0  0.86  0.0  1.0
  Te  Te21  1  0.0  0.86  0.96  1.0
  Te  Te22  1  0.0  0.87  0.23  1.0
  Te  Te23  1  0.0  0.87  0.73  1.0
  Te  Te24  1  0.13  0.45  0.25  1.0
  Te  Te25  1  0.13  0.45  0.72  1.0
  Te  Te26  1  0.13  0.46  0.02  1.0
  Te  Te27  1  0.13  0.46  0.95  1.0
  Te  Te28  1  0.13  0.86  0.1  1.0
  Te  Te29  1  0.13  0.86  0.87  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Fe Fe Te Te Te Te Te Te Te Te Te Te Te Te