data_NbTl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.32
_cell_angle_alpha   102.51
_cell_angle_beta   102.51
_cell_angle_gamma   36.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Ru
_chemical_formula_sum   'Nb1 Tl2 Ru1'
_cell_volume   78.47
_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  Tl2  1  0.92  0.0  0.35  1.0
  Tl  Tl3  1  0.43  0.0  0.83  1.0
  Ru  Ru1  1  0.17  0.0  0.59  1.0

data_NbTl2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.04
_cell_length_c   5.32
_cell_angle_alpha   102.51
_cell_angle_beta   90.0
_cell_angle_gamma   108.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Ru
_chemical_formula_sum   'Nb1 Tl2 Ru1'
_cell_volume   78.47
_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  0.08  0.65  1.0
  Tl  Tl2  1  0.0  0.57  0.17  1.0
  Ru  Ru3  1  0.0  0.83  0.41  1.0

Nb Tl Tl Ru