data_KBPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   151.22
_cell_angle_beta   151.22
_cell_angle_gamma   41.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBPd
_chemical_formula_sum   'K1 B1 Pd1'
_cell_volume   57.52
_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
  K  K1  1  0.0  0.0  0.88  1.0
  B  B0  1  0.0  0.0  0.94  1.0
  Pd  Pd2  1  0.0  0.0  0.96  1.0

data_KBPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   110.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KBPd
_chemical_formula_sum   'K2 B2 Pd2'
_cell_volume   115.04
_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
  K  K0  2  0.38  0.5  0.88  1.0
  B  B1  2  0.44  0.5  0.94  1.0
  Pd  Pd2  2  0.46  0.5  0.96  1.0

K B Pd