data_KFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   7.02
_cell_angle_alpha   95.74
_cell_angle_beta   95.74
_cell_angle_gamma   37.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Pd
_chemical_formula_sum   'K1 Fe2 Pd1'
_cell_volume   77.22
_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  K2  1  0.62  0.0  0.54  1.0
  Fe  Fe0  1  0.27  0.0  0.66  1.0
  Fe  Fe1  1  0.57  0.0  0.1  1.0
  Pd  Pd3  1  0.72  0.0  0.16  1.0

data_KFe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.24
_cell_length_c   7.02
_cell_angle_alpha   95.74
_cell_angle_beta   90.0
_cell_angle_gamma   108.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2Pd
_chemical_formula_sum   'K1 Fe2 Pd1'
_cell_volume   77.22
_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  0.38  0.46  1.0
  Fe  Fe1  1  0.0  0.43  0.9  1.0
  Fe  Fe2  1  0.0  0.73  0.34  1.0
  Pd  Pd3  1  0.0  0.28  0.84  1.0

K Fe Fe Pd