data_SiBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.93
_cell_angle_alpha   114.15
_cell_angle_beta   114.15
_cell_angle_gamma   37.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBPd2
_chemical_formula_sum   'Si1 B1 Pd2'
_cell_volume   53.41
_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
  Si  Si3  1  0.14  0.0  0.22  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.45  0.0  0.97  1.0
  Pd  Pd2  1  0.84  0.0  0.48  1.0

data_SiBPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.44
_cell_length_c   4.93
_cell_angle_alpha   114.15
_cell_angle_beta   90.0
_cell_angle_gamma   108.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBPd2
_chemical_formula_sum   'Si1 B1 Pd2'
_cell_volume   53.41
_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
  Si  Si0  1  0.0  0.86  0.78  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.16  0.52  1.0
  Pd  Pd3  1  0.0  0.55  0.03  1.0

Si B Pd Pd