data_KSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58
_cell_length_b   7.58
_cell_length_c   7.58
_cell_angle_alpha   34.3
_cell_angle_beta   34.3
_cell_angle_gamma   34.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn2Pd
_chemical_formula_sum   'K1 Sn2 Pd1'
_cell_volume   123.38
_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  0.0  0.0  0.87  1.0
  Sn  Sn3  1  0.0  0.0  0.52  1.0
  Pd  Pd1  1  0.0  0.0  0.69  1.0

data_KSn2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.74
_cell_length_b   4.47
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   109.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSn2Pd
_chemical_formula_sum   'K2 Sn4 Pd2'
_cell_volume   246.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sn  Sn1  2  0.0  0.0  0.13  1.0
  Sn  Sn2  2  0.0  0.0  0.48  1.0
  Pd  Pd3  2  0.0  0.0  0.31  1.0

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