data_Na2TlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlSb
_chemical_formula_sum   'Na2 Tl1 Sb1'
_cell_volume   126.74
_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  0.17  1.0
  Na  Na1  1  0.52  0.0  0.68  1.0
  Tl  Tl3  1  0.52  0.0  0.59  1.0
  Sb  Sb2  1  0.0  0.0  0.62  1.0

data_Na2TlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlSb
_chemical_formula_sum   'Na2 Tl1 Sb1'
_cell_volume   126.74
_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  0.17  1.0
  Na  Na1  1  0.52  0.0  0.68  1.0
  Tl  Tl2  1  0.52  0.0  0.59  1.0
  Sb  Sb3  1  0.0  0.0  0.62  1.0

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