data_NbTl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   146.71
_cell_angle_beta   127.81
_cell_angle_gamma   63.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2W
_chemical_formula_sum   'Nb1 Tl2 W1'
_cell_volume   81.49
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.53  0.42  1.0
  Tl  Tl2  1  0.65  0.0  0.48  1.0
  W  W3  1  0.0  0.0  0.89  1.0

data_NbTl2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.06
_cell_length_c   5.75
_cell_angle_alpha   116.09
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2W
_chemical_formula_sum   'Nb1 Tl2 W1'
_cell_volume   81.49
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.48  0.83  1.0
  Tl  Tl2  1  0.47  0.89  0.89  1.0
  W  W3  1  0.0  0.89  0.89  1.0

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