data_B2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   32.0
_cell_angle_beta   32.0
_cell_angle_gamma   32.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2MoPd
_chemical_formula_sum   'B2 Mo1 Pd1'
_cell_volume   44.15
_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  0.25  1.0
  B  B1  1  0.0  0.0  0.62  1.0
  Mo  Mo2  1  0.0  0.0  0.54  1.0
  Pd  Pd3  1  0.0  0.0  0.51  1.0

data_B2MoPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   3.09
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   108.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B2MoPd
_chemical_formula_sum   'B4 Mo2 Pd2'
_cell_volume   88.3
_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  0.38  1.0
  B  B1  2  -0.0  0.0  0.75  1.0
  Mo  Mo2  2  -0.0  0.0  0.46  1.0
  Pd  Pd3  2  -0.0  0.0  0.49  1.0

B B Mo Pd