data_HfTlHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   3.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlHg
_chemical_formula_sum   'Hf1 Tl1 Hg1'
_cell_volume   68.82
_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  0.09  1.0
  Tl  Tl2  1  0.42  0.4  0.18  1.0
  Hg  Hg1  1  0.0  0.8  0.11  1.0

data_HfTlHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlHg
_chemical_formula_sum   'Hf1 Tl1 Hg1'
_cell_volume   68.82
_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  0.09  0.0  0.0  1.0
  Tl  Tl1  1  0.18  0.42  0.4  1.0
  Hg  Hg2  1  0.11  0.0  0.8  1.0

Hf Tl Hg