data_NaTl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   144.72
_cell_angle_beta   129.89
_cell_angle_gamma   62.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2Cd
_chemical_formula_sum   'Na1 Tl2 Cd1'
_cell_volume   114.26
_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  0.18  1.0
  Tl  Tl2  1  0.94  0.0  0.01  1.0
  Tl  Tl3  1  0.0  0.0  0.73  1.0
  Cd  Cd0  1  0.94  0.0  0.45  1.0

data_NaTl2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   5.41
_cell_length_c   6.39
_cell_angle_alpha   115.05
_cell_angle_beta   107.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2Cd
_chemical_formula_sum   'Na1 Tl2 Cd1'
_cell_volume   114.26
_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  0.18  0.18  1.0
  Tl  Tl1  1  0.0  0.01  0.07  1.0
  Tl  Tl2  1  0.0  0.73  0.73  1.0
  Cd  Cd3  1  0.0  0.45  0.51  1.0

Na Tl Tl Cd