data_NaYTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYTl
_chemical_formula_sum   'Na1 Y1 Tl1'
_cell_volume   93.55
_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  0.18  1.0
  Y  Y2  1  0.0  0.08  0.38  1.0
  Tl  Tl1  1  0.8  0.04  0.8  1.0

data_NaYTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYTl
_chemical_formula_sum   'Na1 Y1 Tl1'
_cell_volume   93.55
_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  0.18  1.0
  Y  Y1  1  -0.0  0.08  0.38  1.0
  Tl  Tl2  1  0.8  0.04  0.8  1.0

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