data_Hf2BeTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeTl
_chemical_formula_sum   'Hf2 Be1 Tl1'
_cell_volume   77.46
_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  Hf1  1  0.49  0.07  0.57  1.0
  Hf  Hf2  1  0.49  0.93  0.57  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.98  0.0  0.0  1.0

data_Hf2BeTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   108.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeTl
_chemical_formula_sum   'Hf2 Be1 Tl1'
_cell_volume   77.46
_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  0.57  0.49  0.07  1.0
  Hf  Hf1  1  0.57  0.49  0.93  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.98  0.0  1.0

Hf Hf Be Tl