data_YHf2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   148.87
_cell_angle_beta   128.35
_cell_angle_gamma   61.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Tl
_chemical_formula_sum   'Y1 Hf2 Tl1'
_cell_volume   98.8
_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
  Y  Y3  1  0.0  0.0  0.74  1.0
  Hf  Hf0  1  0.0  0.73  0.22  1.0
  Hf  Hf1  1  0.0  0.0  0.08  1.0
  Tl  Tl2  1  0.0  0.73  0.12  1.0

data_YHf2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.46
_cell_length_c   6.27
_cell_angle_alpha   115.82
_cell_angle_beta   105.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf2Tl
_chemical_formula_sum   'Y1 Hf2 Tl1'
_cell_volume   98.8
_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
  Y  Y0  1  0.26  0.26  0.26  1.0
  Hf  Hf1  1  0.78  0.51  0.51  1.0
  Hf  Hf2  1  0.92  0.92  0.92  1.0
  Tl  Tl3  1  0.88  0.61  0.61  1.0

Y Hf Hf Tl