data_BSbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   143.07
_cell_angle_beta   112.19
_cell_angle_gamma   79.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSbPd2
_chemical_formula_sum   'B1 Sb1 Pd2'
_cell_volume   67.2
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.83  1.0
  Pd  Pd1  1  0.58  0.0  0.37  1.0
  Pd  Pd2  1  0.0  0.78  0.46  1.0

data_BSbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   67.81
_cell_angle_beta   71.54
_cell_angle_gamma   71.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BSbPd2
_chemical_formula_sum   'B1 Sb1 Pd2'
_cell_volume   67.2
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.83  -0.0  0.17  1.0
  Pd  Pd2  1  0.46  0.0  0.33  1.0
  Pd  Pd3  1  0.79  0.58  0.63  1.0

B Sb Pd Pd