data_KSiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   153.08
_cell_angle_beta   146.65
_cell_angle_gamma   43.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSiPd
_chemical_formula_sum   'K1 Si1 Pd1'
_cell_volume   66.49
_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  K0  1  0.0  0.0  0.95  1.0
  Si  Si2  1  0.0  0.0  0.39  1.0
  Pd  Pd1  1  0.0  0.0  0.62  1.0

data_KSiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.7
_cell_length_c   6.45
_cell_angle_alpha   106.67
_cell_angle_beta   103.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSiPd
_chemical_formula_sum   'K1 Si1 Pd1'
_cell_volume   66.49
_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  K0  1  0.0  0.95  0.95  1.0
  Si  Si1  1  0.0  0.39  0.39  1.0
  Pd  Pd2  1  0.0  0.62  0.62  1.0

K Si Pd