data_HfNbTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.47
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbTl2
_chemical_formula_sum   'Hf1 Nb1 Tl2'
_cell_volume   85.74
_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  0.1  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.55  0.24  0.51  1.0
  Tl  Tl3  1  0.55  0.24  0.68  1.0

data_HfNbTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.47
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbTl2
_chemical_formula_sum   'Hf1 Nb1 Tl2'
_cell_volume   85.74
_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  0.1  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.55  0.24  0.51  1.0
  Tl  Tl3  1  0.55  0.24  0.68  1.0

Hf Nb Tl Tl
Hf Nb Tl Tl 0 1 o o o 2 3 o o o 