data_Na2TlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.79
_cell_length_b   10.79
_cell_length_c   10.79
_cell_angle_alpha   19.09
_cell_angle_beta   19.09
_cell_angle_gamma   19.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlBi
_chemical_formula_sum   'Na2 Tl1 Bi1'
_cell_volume   117.45
_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  Na1  1  0.0  0.0  0.91  1.0
  Na  Na2  1  0.0  0.0  0.86  1.0
  Tl  Tl3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.88  1.0

data_Na2TlBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.2
_cell_length_b   3.58
_cell_length_c   10.79
_cell_angle_alpha   90.0
_cell_angle_beta   101.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2TlBi
_chemical_formula_sum   'Na4 Tl2 Bi2'
_cell_volume   234.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.09  1.0
  Na  Na1  2  0.0  0.0  0.14  1.0
  Tl  Tl2  2  0.0  0.0  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.12  1.0

Na Na Tl Bi