data_BPd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   7.57
_cell_angle_alpha   21.78
_cell_angle_beta   21.78
_cell_angle_gamma   21.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPd2Ru
_chemical_formula_sum   'B1 Pd2 Ru1'
_cell_volume   52.41
_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
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.14  1.0
  Pd  Pd2  1  0.0  0.0  0.03  1.0
  Ru  Ru3  1  0.0  0.0  0.09  1.0

data_BPd2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   2.86
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   102.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BPd2Ru
_chemical_formula_sum   'B2 Pd4 Ru2'
_cell_volume   104.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Pd  Pd1  2  0.0  0.0  0.86  1.0
  Ru  Ru2  2  0.0  0.0  0.91  1.0
  Pd  Pd3  2  0.0  0.0  0.97  1.0

B Pd Pd Ru