data_KSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   138.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn5
_chemical_formula_sum   'K1 Sn5'
_cell_volume   178.36
_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  0.48  0.7  0.74  1.0
  Sn  Sn2  1  0.48  0.6  0.0  1.0
  Sn  Sn3  1  0.48  0.0  0.74  1.0
  Sn  Sn4  1  0.48  0.4  0.0  1.0
  Sn  Sn5  1  0.48  0.3  0.74  1.0

data_KSn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   5.47
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   110.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSn5
_chemical_formula_sum   'K1 Sn5'
_cell_volume   178.36
_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  0.0  0.26  0.52  1.0
  Sn  Sn2  1  0.3  0.26  0.82  1.0
  Sn  Sn3  1  0.4  0.0  0.92  1.0
  Sn  Sn4  1  0.6  -0.0  0.12  1.0
  Sn  Sn5  1  0.7  0.26  0.22  1.0

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