data_B2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   5.08
_cell_angle_alpha   104.8
_cell_angle_beta   104.8
_cell_angle_gamma   48.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2IrPd
_chemical_formula_sum   'B2 Ir1 Pd1'
_cell_volume   44.83
_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  0.58  0.0  0.51  1.0
  B  B1  1  0.43  0.0  0.36  1.0
  Ir  Ir2  1  0.5  0.0  0.44  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_B2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.52
_cell_length_c   5.08
_cell_angle_alpha   104.8
_cell_angle_beta   90.0
_cell_angle_gamma   114.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2IrPd
_chemical_formula_sum   'B2 Ir1 Pd1'
_cell_volume   44.83
_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  0.42  0.49  1.0
  B  B1  1  0.0  0.57  0.64  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.5  0.56  1.0

B B Ir Pd