data_NaHf2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   5.17
_cell_angle_alpha   111.54
_cell_angle_beta   111.54
_cell_angle_gamma   28.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Tl
_chemical_formula_sum   'Na1 Hf2 Tl1'
_cell_volume   95.85
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.41  0.0  0.48  1.0
  Hf  Hf1  1  0.11  0.0  0.3  1.0
  Tl  Tl3  1  0.26  0.0  0.39  1.0

data_NaHf2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.17
_cell_length_c   6.45
_cell_angle_alpha   111.54
_cell_angle_beta   104.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHf2Tl
_chemical_formula_sum   'Na1 Hf2 Tl1'
_cell_volume   95.85
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.3  0.11  1.0
  Hf  Hf2  1  0.0  0.48  0.41  1.0
  Tl  Tl3  1  0.0  0.39  0.26  1.0

Na Hf Hf Tl