data_HfTa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Te
_chemical_formula_sum   'Hf1 Ta2 Te1'
_cell_volume   82.25
_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  0.0  0.49  1.0
  Ta  Ta1  1  0.8  0.0  0.78  1.0
  Ta  Ta2  1  0.8  0.0  0.19  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_HfTa2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Te
_chemical_formula_sum   'Hf1 Ta2 Te1'
_cell_volume   82.25
_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  0.0  0.49  1.0
  Ta  Ta1  1  0.8  0.0  0.19  1.0
  Ta  Ta2  1  0.8  0.0  0.78  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Hf Ta Ta Te
Hf Ta Ta Te 0 2 - o o 0 0 o + o 0 0 + o o 0 1 - o o 1 3 + o + 2 3 + o o 