data_KSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   6.55
_cell_angle_alpha   108.66
_cell_angle_beta   108.66
_cell_angle_gamma   30.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn
_chemical_formula_sum   'K2 Sn2'
_cell_volume   149.49
_cell_formula_units_Z   2
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  0.66  0.0  0.24  1.0
  K  K1  1  0.6  0.0  0.94  1.0
  Sn  Sn2  1  0.16  0.0  0.88  1.0
  Sn  Sn3  1  0.09  0.0  0.3  1.0

data_KSn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.6
_cell_length_b   6.55
_cell_length_c   6.95
_cell_angle_alpha   108.66
_cell_angle_beta   105.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KSn
_chemical_formula_sum   'K2 Sn2'
_cell_volume   149.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.15  0.53  1.0
  Sn  Sn1  2  0.0  0.21  0.96  1.0

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