data_HfTa2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   140.26
_cell_angle_beta   132.15
_cell_angle_gamma   63.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Tl
_chemical_formula_sum   'Hf1 Ta2 Tl1'
_cell_volume   80.86
_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
  Ta  Ta1  1  0.0  0.26  0.39  1.0
  Ta  Ta2  1  0.89  0.0  0.34  1.0
  Tl  Tl3  1  0.0  0.0  0.73  1.0

data_HfTa2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.52
_cell_length_c   5.57
_cell_angle_alpha   113.92
_cell_angle_beta   109.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Tl
_chemical_formula_sum   'Hf1 Ta2 Tl1'
_cell_volume   80.86
_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
  Ta  Ta1  1  0.0  0.34  0.45  1.0
  Ta  Ta2  1  0.74  0.13  0.13  1.0
  Tl  Tl3  1  0.0  0.73  0.73  1.0

Hf Ta Ta Tl