data_HfTlSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   3.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlSe2
_chemical_formula_sum   'Hf1 Tl1 Se2'
_cell_volume   88.64
_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  0.42  0.0  0.0  1.0
  Se  Se1  1  0.71  0.87  0.74  1.0
  Se  Se2  1  0.71  0.13  0.74  1.0

data_HfTlSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   95.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlSe2
_chemical_formula_sum   'Hf1 Tl1 Se2'
_cell_volume   88.64
_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  -0.0  0.42  0.0  1.0
  Se  Se2  1  0.74  0.71  0.13  1.0
  Se  Se3  1  0.74  0.71  0.87  1.0

Hf Tl Se Se