data_ScBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.32
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   109.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBPd2
_chemical_formula_sum   'Sc1 B1 Pd2'
_cell_volume   62.76
_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  0.99  0.0  0.51  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.99  0.66  0.93  1.0
  Pd  Pd2  1  0.99  0.66  0.09  1.0

data_ScBPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.76
_cell_length_c   5.33
_cell_angle_alpha   109.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBPd2
_chemical_formula_sum   'Sc1 B1 Pd2'
_cell_volume   62.76
_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  0.01  0.49  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.34  0.01  0.07  1.0
  Pd  Pd3  1  0.34  0.01  0.91  1.0

Sc B Pd Pd