data_NaTl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.36
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2W
_chemical_formula_sum   'Na1 Tl2 W1'
_cell_volume   88.37
_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
  Tl  Tl1  1  0.5  0.18  0.8  1.0
  Tl  Tl2  1  0.5  0.18  0.93  1.0
  W  W3  1  0.0  0.0  0.37  1.0

data_NaTl2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.36
_cell_length_b   3.01
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaTl2W
_chemical_formula_sum   'Na1 Tl2 W1'
_cell_volume   88.37
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Tl  Tl1  1  0.18  0.5  0.8  1.0
  Tl  Tl2  1  0.18  0.5  0.93  1.0
  W  W3  1  0.0  0.0  0.37  1.0

Na Tl Tl W