data_B2P3Pd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   56.18
_cell_angle_beta   56.18
_cell_angle_gamma   56.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2P3Pd2
_chemical_formula_sum   'B2 P3 Pd2'
_cell_volume   90.02
_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
  B  B1  1  0.0  0.0  0.53  1.0
  P  P2  1  0.0  0.59  0.18  1.0
  P  P3  1  0.78  0.71  0.18  1.0
  P  P4  1  0.22  0.71  0.18  1.0
  Pd  Pd5  1  0.0  0.0  0.7  1.0
  Pd  Pd6  1  0.0  0.0  0.37  1.0

data_B2P3Pd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   5.19
_cell_angle_alpha   61.91
_cell_angle_beta   61.91
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2P3Pd2
_chemical_formula_sum   'B2 P3 Pd2'
_cell_volume   90.02
_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
  B  B1  1  0.0  0.47  0.53  1.0
  P  P2  1  0.29  0.82  0.66  1.0
  P  P3  1  0.29  0.82  0.1  1.0
  P  P4  1  0.41  0.82  0.77  1.0
  Pd  Pd5  1  0.0  0.3  0.7  1.0
  Pd  Pd6  1  0.0  0.63  0.37  1.0

B B P P P Pd Pd