data_HfZr2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   148.39
_cell_angle_beta   129.34
_cell_angle_gamma   60.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2Tl
_chemical_formula_sum   'Hf1 Zr2 Tl1'
_cell_volume   91.11
_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  0.28  1.0
  Zr  Zr2  1  0.0  0.0  0.5  1.0
  Zr  Zr3  1  0.66  0.0  0.63  1.0
  Tl  Tl1  1  0.0  0.61  0.61  1.0

data_HfZr2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.22
_cell_length_c   6.1
_cell_angle_alpha   115.33
_cell_angle_beta   105.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2Tl
_chemical_formula_sum   'Hf1 Zr2 Tl1'
_cell_volume   91.11
_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  0.72  0.72  0.72  1.0
  Zr  Zr1  1  0.03  0.37  0.03  1.0
  Zr  Zr2  1  0.5  0.5  0.5  1.0
  Tl  Tl3  1  0.39  1.0  1.0  1.0

Hf Zr Zr Tl