data_HfTlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.43
_cell_length_c   7.43
_cell_angle_alpha   151.62
_cell_angle_beta   135.04
_cell_angle_gamma   54.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlTe2
_chemical_formula_sum   'Hf1 Tl1 Te2'
_cell_volume   136.81
_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  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.62  1.0
  Te  Te1  1  0.0  0.84  0.45  1.0
  Te  Te2  1  0.82  0.0  0.17  1.0

data_HfTlTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.68
_cell_length_c   7.43
_cell_angle_alpha   112.48
_cell_angle_beta   104.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlTe2
_chemical_formula_sum   'Hf1 Tl1 Te2'
_cell_volume   136.81
_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  0.0  1.0
  Tl  Tl1  1  0.38  0.38  0.38  1.0
  Te  Te2  1  0.55  0.39  0.39  1.0
  Te  Te3  1  0.65  0.83  0.65  1.0

Hf Tl Te Te