data_ScNbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   146.86
_cell_angle_beta   131.36
_cell_angle_gamma   60.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbPd2
_chemical_formula_sum   'Sc1 Nb1 Pd2'
_cell_volume   69.83
_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
  Sc  Sc3  1  0.0  0.0  0.82  1.0
  Nb  Nb0  1  0.59  0.0  0.3  1.0
  Pd  Pd1  1  0.0  0.0  0.04  1.0
  Pd  Pd2  1  0.0  0.29  0.46  1.0

data_ScNbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.58
_cell_length_c   5.56
_cell_angle_alpha   114.32
_cell_angle_beta   106.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbPd2
_chemical_formula_sum   'Sc1 Nb1 Pd2'
_cell_volume   69.83
_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
  Sc  Sc0  1  0.0  0.82  0.82  1.0
  Nb  Nb1  1  0.0  0.3  0.72  1.0
  Pd  Pd2  1  0.0  0.04  0.04  1.0
  Pd  Pd3  1  0.71  0.17  0.17  1.0

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