data_Hf3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   144.42
_cell_angle_beta   66.93
_cell_angle_gamma   125.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Te
_chemical_formula_sum   'Hf3 Te1'
_cell_volume   89.13
_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  0.76  0.33  0.55  1.0
  Hf  Hf1  1  0.76  0.67  0.55  1.0
  Hf  Hf2  1  0.0  0.8  0.92  1.0
  Te  Te3  1  0.0  0.0  0.78  1.0

data_Hf3Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.28
_cell_length_c   5.75
_cell_angle_alpha   117.33
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Te
_chemical_formula_sum   'Hf3 Te1'
_cell_volume   89.13
_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  0.55  0.23  0.98  1.0
  Hf  Hf1  1  0.55  0.88  0.64  1.0
  Hf  Hf2  1  0.92  0.12  0.12  1.0
  Te  Te3  1  0.78  0.78  0.78  1.0

Hf Hf Hf Te