data_KNbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.54
_cell_angle_alpha   100.36
_cell_angle_beta   100.36
_cell_angle_gamma   29.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbPd2
_chemical_formula_sum   'K1 Nb1 Pd2'
_cell_volume   80.66
_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  0.87  0.0  0.98  1.0
  Nb  Nb1  1  0.47  0.0  0.83  1.0
  Pd  Pd2  1  0.42  0.0  0.24  1.0
  Pd  Pd3  1  0.15  0.0  0.11  1.0

data_KNbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.47
_cell_length_c   5.54
_cell_angle_alpha   100.36
_cell_angle_beta   90.0
_cell_angle_gamma   104.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbPd2
_chemical_formula_sum   'K1 Nb1 Pd2'
_cell_volume   80.66
_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  0.13  0.02  1.0
  Nb  Nb1  1  0.0  0.53  0.17  1.0
  Pd  Pd2  1  0.0  0.58  0.76  1.0
  Pd  Pd3  1  0.0  0.85  0.89  1.0

K Nb Pd Pd