data_ScAgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.69
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAgPd2
_chemical_formula_sum   'Sc1 Ag1 Pd2'
_cell_volume   68.28
_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  0.0  1.0
  Ag  Ag0  1  0.93  0.0  0.95  1.0
  Pd  Pd1  1  0.48  0.85  0.45  1.0
  Pd  Pd2  1  0.52  0.85  0.45  1.0

data_ScAgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.69
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   91.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAgPd2
_chemical_formula_sum   'Sc1 Ag1 Pd2'
_cell_volume   68.28
_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  0.0  0.0  1.0
  Ag  Ag1  1  0.93  0.0  0.95  1.0
  Pd  Pd2  1  0.48  0.85  0.45  1.0
  Pd  Pd3  1  0.52  0.85  0.45  1.0

Sc Ag Pd Pd