data_Ba(BPd)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   145.19
_cell_angle_beta   145.19
_cell_angle_gamma   50.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(BPd)2
_chemical_formula_sum   'Ba1 B2 Pd2'
_cell_volume   90.39
_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
  Ba  Ba2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.94  1.0
  B  B1  1  0.0  0.0  0.9  1.0
  Pd  Pd3  1  0.95  0.0  0.96  1.0
  Pd  Pd4  1  0.0  0.95  0.96  1.0

data_Ba(BPd)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   115.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba(BPd)2
_chemical_formula_sum   'Ba2 B4 Pd4'
_cell_volume   180.78
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  B  B1  2  0.0  0.0  0.06  1.0
  B  B2  2  0.0  0.0  0.1  1.0
  Pd  Pd3  4  0.48  0.48  0.99  1.0

Ba B B Pd Pd