data_ZrTiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   146.27
_cell_angle_beta   139.55
_cell_angle_gamma   53.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiTl
_chemical_formula_sum   'Zr1 Ti1 Tl1'
_cell_volume   63.62
_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
  Zr  Zr2  1  0.0  0.0  0.4  1.0
  Ti  Ti0  1  0.0  0.0  0.02  1.0
  Tl  Tl1  1  0.0  0.0  0.62  1.0

data_ZrTiTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.89
_cell_length_c   5.62
_cell_angle_alpha   110.23
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTiTl
_chemical_formula_sum   'Zr1 Ti1 Tl1'
_cell_volume   63.62
_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
  Zr  Zr0  1  0.0  0.4  0.4  1.0
  Ti  Ti1  1  0.0  0.02  0.02  1.0
  Tl  Tl2  1  0.0  0.62  0.62  1.0

Zr Ti Tl