data_LaNbTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   5.52
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   93.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbTl2
_chemical_formula_sum   'La1 Nb1 Tl2'
_cell_volume   104.52
_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
  La  La0  1  0.4  0.76  0.49  1.0
  Nb  Nb1  1  0.44  0.0  0.65  1.0
  Tl  Tl2  1  0.84  0.76  0.27  1.0
  Tl  Tl3  1  0.93  0.0  0.72  1.0

data_LaNbTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.52
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   93.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbTl2
_chemical_formula_sum   'La1 Nb1 Tl2'
_cell_volume   104.52
_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
  La  La0  1  0.4  0.76  0.49  1.0
  Nb  Nb1  1  0.44  0.0  0.65  1.0
  Tl  Tl2  1  0.84  0.76  0.27  1.0
  Tl  Tl3  1  0.93  0.0  0.72  1.0

La Nb Tl Tl