data_Na2TlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   5.08
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlW
_chemical_formula_sum   'Na2 Tl1 W1'
_cell_volume   86.76
_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  0.52  0.54  0.0  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.54  0.81  1.0
  W  W3  1  0.52  0.0  0.81  1.0

data_Na2TlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.08
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlW
_chemical_formula_sum   'Na2 Tl1 W1'
_cell_volume   86.76
_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  0.0  1.0
  Na  Na1  1  0.52  0.54  0.0  1.0
  Tl  Tl2  1  0.0  0.54  0.81  1.0
  W  W3  1  0.52  0.0  0.81  1.0

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