data_KBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   4.51
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBi2Pd
_chemical_formula_sum   'K1 Bi2 Pd1'
_cell_volume   131.29
_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  0.0  0.0  0.89  1.0
  Bi  Bi0  1  0.94  0.0  0.79  1.0
  Bi  Bi1  1  0.94  0.25  0.03  1.0
  Pd  Pd3  1  0.0  0.25  0.54  1.0

data_KBi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.51
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBi2Pd
_chemical_formula_sum   'K1 Bi2 Pd1'
_cell_volume   131.29
_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  0.89  1.0
  Bi  Bi1  1  0.94  0.0  0.79  1.0
  Bi  Bi2  1  0.94  0.25  0.03  1.0
  Pd  Pd3  1  0.0  0.25  0.54  1.0

K Bi Bi Pd
K Bi Bi Pd 0 1 - o o 0 2 - o + 1 3 + o o 