data_Nb2TlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   3.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlW
_chemical_formula_sum   'Nb2 Tl1 W1'
_cell_volume   73.79
_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  0.56  0.67  0.76  1.0
  Nb  Nb1  1  0.56  0.33  0.76  1.0
  Tl  Tl2  1  0.12  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Nb2TlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   93.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TlW
_chemical_formula_sum   'Nb2 Tl1 W1'
_cell_volume   73.79
_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  0.76  0.56  0.33  1.0
  Nb  Nb1  1  0.76  0.56  0.67  1.0
  Tl  Tl2  1  0.0  0.12  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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