data_NaTiTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   149.55
_cell_angle_beta   132.94
_cell_angle_gamma   57.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiTl2
_chemical_formula_sum   'Na1 Ti1 Tl2'
_cell_volume   97.37
_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  0.7  1.0
  Ti  Ti1  1  0.0  0.56  0.01  1.0
  Tl  Tl2  1  0.0  0.0  0.12  1.0
  Tl  Tl3  1  0.69  0.0  0.72  1.0

data_NaTiTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.12
_cell_length_c   6.42
_cell_angle_alpha   113.53
_cell_angle_beta   105.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTiTl2
_chemical_formula_sum   'Na1 Ti1 Tl2'
_cell_volume   97.37
_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  0.7  0.7  1.0
  Ti  Ti1  1  0.44  0.45  0.45  1.0
  Tl  Tl2  1  0.0  0.12  0.12  1.0
  Tl  Tl3  1  0.0  0.72  0.03  1.0

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