data_NbIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.84
_cell_angle_alpha   99.48
_cell_angle_beta   99.48
_cell_angle_gamma   33.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIr2Pd
_chemical_formula_sum   'Nb1 Ir2 Pd1'
_cell_volume   61.82
_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  Nb2  1  0.25  0.0  0.39  1.0
  Ir  Ir0  1  0.41  0.0  0.72  1.0
  Ir  Ir1  1  0.74  0.0  0.62  1.0
  Pd  Pd3  1  0.75  0.0  0.19  1.0

data_NbIr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.84
_cell_length_c   4.85
_cell_angle_alpha   99.48
_cell_angle_beta   106.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbIr2Pd
_chemical_formula_sum   'Nb1 Ir2 Pd1'
_cell_volume   61.82
_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  0.39  0.25  1.0
  Pd  Pd1  1  0.0  0.19  0.75  1.0
  Ir  Ir2  1  0.0  0.62  0.74  1.0
  Ir  Ir3  1  0.0  0.72  0.41  1.0

Nb Ir Ir Pd
Nb Ir Ir Pd 0 1 o o o 0 3 o o o 0 3 - o o 1 2 o o o 1 3 o o + 2 3 o o + 2 3 o o o 3 3 + - o 