data_Na2NbTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.39
_cell_angle_alpha   98.38
_cell_angle_beta   98.38
_cell_angle_gamma   29.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NbTl
_chemical_formula_sum   'Na2 Nb1 Tl1'
_cell_volume   94.71
_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  0.26  0.0  0.03  1.0
  Na  Na1  1  0.5  0.0  0.3  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.38  0.0  0.66  1.0

data_Na2NbTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.39
_cell_length_c   5.99
_cell_angle_alpha   98.38
_cell_angle_beta   104.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NbTl
_chemical_formula_sum   'Na2 Nb1 Tl1'
_cell_volume   94.71
_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  0.03  0.26  1.0
  Na  Na1  1  0.0  0.3  0.5  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.66  0.38  1.0

Na Na Nb Tl