data_HfTaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaTe2
_chemical_formula_sum   'Hf1 Ta1 Te2'
_cell_volume   104.78
_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  0.87  1.0
  Ta  Ta1  1  0.97  0.0  0.7  1.0
  Te  Te2  1  0.0  0.0  0.73  1.0
  Te  Te3  1  0.97  0.0  0.96  1.0

data_HfTaTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   10.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaTe2
_chemical_formula_sum   'Hf1 Ta1 Te2'
_cell_volume   104.78
_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  0.87  1.0
  Ta  Ta1  1  0.97  0.0  0.7  1.0
  Te  Te2  1  0.0  0.0  0.73  1.0
  Te  Te3  1  0.97  0.0  0.96  1.0

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