data_Na2HfTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   5.81
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   93.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfTl
_chemical_formula_sum   'Na2 Hf1 Tl1'
_cell_volume   101.41
_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  Na1  1  0.62  0.91  0.22  1.0
  Na  Na2  1  0.17  0.91  0.39  1.0
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.4  0.0  0.8  1.0

data_Na2HfTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.62
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HfTl
_chemical_formula_sum   'Na2 Hf1 Tl1'
_cell_volume   101.41
_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  0.38  0.78  0.09  1.0
  Na  Na1  1  0.83  0.61  0.09  1.0
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.6  0.2  0.0  1.0

Na Na Hf Tl
Na Na Hf Tl 0 1 o o o 0 1 + o o 0 2 + + o 2 3 o o - 