data_K2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   6.25
_cell_length_c   13.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Sn
_chemical_formula_sum   'K8 Sn4'
_cell_volume   471.64
_cell_formula_units_Z   4
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  0.8  0.69  0.33  1.0
  K  K1  1  0.07  0.56  0.93  1.0
  K  K2  1  0.66  0.69  0.26  1.0
  K  K3  1  0.93  0.56  0.85  1.0
  K  K4  1  0.58  0.69  0.91  1.0
  K  K5  1  0.28  0.56  0.31  1.0
  K  K6  1  0.44  0.69  0.87  1.0
  K  K7  1  0.15  0.56  0.28  1.0
  Sn  Sn8  1  0.4  0.69  0.73  1.0
  Sn  Sn9  1  0.19  0.56  0.14  1.0
  Sn  Sn10  1  0.53  0.69  0.05  1.0
  Sn  Sn11  1  0.33  0.56  0.46  1.0

data_K2Sn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.73
_cell_length_b   6.25
_cell_length_c   13.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K2Sn
_chemical_formula_sum   'K8 Sn4'
_cell_volume   471.64
_cell_formula_units_Z   4
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  0.08  0.56  0.78  1.0
  K  K1  2  0.22  0.56  0.81  1.0
  K  K2  2  0.3  0.56  0.17  1.0
  K  K3  2  0.43  0.56  0.24  1.0
  Sn  Sn4  2  0.03  0.56  0.64  1.0
  Sn  Sn5  2  0.17  0.56  0.96  1.0

K K K K K K K K Sn Sn Sn Sn
K K K K K K K K Sn Sn Sn Sn 0 2 o o o 1 3 - o o 4 6 o o o 4 10 o o + 5 7 o o o 5 11 o o o 6 8 o o o 7 9 o o o 