data_Na2YTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YTl
_chemical_formula_sum   'Na2 Y1 Tl1'
_cell_volume   125.82
_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  0.64  0.77  0.73  1.0
  Na  Na1  1  0.64  0.23  0.73  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.29  0.0  0.0  1.0

data_Na2YTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   118.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YTl
_chemical_formula_sum   'Na2 Y1 Tl1'
_cell_volume   125.82
_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  0.73  0.64  0.23  1.0
  Na  Na1  1  0.73  0.64  0.77  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.29  0.0  1.0

Na Na Y Tl
Na Na Y Tl 0 2 + + + 1 3 o o + 2 3 o o o 