data_NbTl2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   135.48
_cell_angle_beta   135.48
_cell_angle_gamma   64.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Pd
_chemical_formula_sum   'Nb1 Tl2 Pd1'
_cell_volume   82.06
_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  0.0  0.0  0.67  1.0
  Tl  Tl3  1  0.0  0.1  0.34  1.0
  Pd  Pd1  1  0.1  0.0  0.34  1.0

data_NbTl2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.53
_cell_angle_alpha   112.26
_cell_angle_beta   112.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTl2Pd
_chemical_formula_sum   'Nb1 Tl2 Pd1'
_cell_volume   82.06
_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  0.24  0.34  0.24  1.0
  Tl  Tl2  1  0.67  0.67  0.67  1.0
  Pd  Pd3  1  0.34  0.24  0.24  1.0

Nb Tl Tl Pd