data_BPdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   3.03
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   116.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPdPt2
_chemical_formula_sum   'B1 Pd1 Pt2'
_cell_volume   57.08
_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  0.98  0.0  0.06  1.0
  Pt  Pt2  1  0.21  0.51  0.74  1.0
  Pt  Pt3  1  0.33  0.51  0.39  1.0

data_BPdPt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.57
_cell_length_b   3.03
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   116.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BPdPt2
_chemical_formula_sum   'B1 Pd1 Pt2'
_cell_volume   57.08
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.98  0.0  0.06  1.0
  Pt  Pt2  1  0.21  0.5  0.74  1.0
  Pt  Pt3  1  0.33  0.5  0.39  1.0

B Pd Pt Pt
B Pd Pt Pt 0 1 - o o 0 2 o o - 0 2 o - - 0 3 o o o 0 3 o - o 1 3 + o o 1 3 + - o 2 3 o o o 