data_K2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   8.93
_cell_angle_alpha   111.15
_cell_angle_beta   111.15
_cell_angle_gamma   41.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Sn
_chemical_formula_sum   'K4 Sn2'
_cell_volume   257.25
_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  0.48  0.0  0.11  1.0
  K  K1  1  0.44  0.0  0.53  1.0
  K  K2  1  0.09  0.0  0.01  1.0
  K  K3  1  0.97  0.0  0.98  1.0
  Sn  Sn4  1  0.49  0.0  0.97  1.0
  Sn  Sn5  1  0.75  0.0  0.75  1.0

data_K2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   6.89
_cell_length_c   8.93
_cell_angle_alpha   111.15
_cell_angle_beta   90.0
_cell_angle_gamma   110.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Sn
_chemical_formula_sum   'K4 Sn2'
_cell_volume   257.25
_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  0.0  0.03  0.02  1.0
  K  K1  1  0.0  0.52  0.89  1.0
  K  K2  1  0.0  0.56  0.47  1.0
  K  K3  1  0.0  0.91  0.99  1.0
  Sn  Sn4  1  0.0  0.25  0.25  1.0
  Sn  Sn5  1  0.0  0.51  0.03  1.0

K K K K Sn Sn
K K K K Sn Sn 0 4 o o - 1 5 o o o 2 3 - o - 3 5 o o o 