data_HfTiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   146.05
_cell_angle_beta   142.92
_cell_angle_gamma   51.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiTl
_chemical_formula_sum   'Hf1 Ti1 Tl1'
_cell_volume   62.16
_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  0.08  1.0
  Ti  Ti1  1  0.0  0.0  0.86  1.0
  Tl  Tl2  1  0.0  0.0  0.36  1.0

data_HfTiTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.63
_cell_length_c   5.7
_cell_angle_alpha   108.54
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiTl
_chemical_formula_sum   'Hf1 Ti1 Tl1'
_cell_volume   62.16
_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  0.92  0.92  0.92  1.0
  Ti  Ti1  1  0.14  0.14  0.14  1.0
  Tl  Tl2  1  0.64  0.64  0.64  1.0

Hf Ti Tl
Hf Ti Tl 0 1 o o - 0 2 o o o 