data_Hf2TiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.1
_cell_angle_alpha   103.38
_cell_angle_beta   103.38
_cell_angle_gamma   37.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TiTe
_chemical_formula_sum   'Hf2 Ti1 Te1'
_cell_volume   83.79
_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  0.02  0.0  0.01  1.0
  Hf  Hf1  1  0.51  0.0  0.64  1.0
  Ti  Ti3  1  0.27  0.0  0.34  1.0
  Te  Te2  1  0.33  0.0  0.43  1.0

data_Hf2TiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.1
_cell_length_c   5.28
_cell_angle_alpha   103.38
_cell_angle_beta   108.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TiTe
_chemical_formula_sum   'Hf2 Ti1 Te1'
_cell_volume   83.79
_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  0.01  0.02  1.0
  Hf  Hf1  1  0.0  0.64  0.51  1.0
  Ti  Ti2  1  0.0  0.34  0.27  1.0
  Te  Te3  1  0.0  0.43  0.33  1.0

Hf Hf Ti Te