data_KSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.48
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   101.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn2Pd
_chemical_formula_sum   'K1 Sn2 Pd1'
_cell_volume   110.21
_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  0.0  1.0
  Sn  Sn2  1  0.95  0.24  0.09  1.0
  Sn  Sn3  1  0.76  0.24  0.42  1.0
  Pd  Pd1  1  0.86  0.0  0.75  1.0

data_KSn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.48
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   101.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn2Pd
_chemical_formula_sum   'K1 Sn2 Pd1'
_cell_volume   110.21
_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  0.0  1.0
  Sn  Sn1  1  0.76  0.24  0.42  1.0
  Sn  Sn2  1  0.95  0.24  0.09  1.0
  Pd  Pd3  1  0.86  0.0  0.75  1.0

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