data_B2PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   4.5
_cell_angle_alpha   100.6
_cell_angle_beta   100.6
_cell_angle_gamma   43.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PdPt
_chemical_formula_sum   'B2 Pd1 Pt1'
_cell_volume   50.41
_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  0.46  0.0  0.97  1.0
  B  B1  1  0.96  0.0  0.06  1.0
  Pd  Pd2  1  0.9  0.0  0.31  1.0
  Pt  Pt3  1  0.15  0.0  0.28  1.0

data_B2PdPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.06
_cell_length_c   4.5
_cell_angle_alpha   100.6
_cell_angle_beta   90.0
_cell_angle_gamma   111.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PdPt
_chemical_formula_sum   'B2 Pd1 Pt1'
_cell_volume   50.41
_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  0.04  0.94  1.0
  B  B1  1  0.0  0.54  0.03  1.0
  Pd  Pd2  1  0.0  0.1  0.69  1.0
  Pt  Pt3  1  0.0  0.85  0.72  1.0

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