data_K2ZnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   10.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZnSn
_chemical_formula_sum   'K2 Zn1 Sn1'
_cell_volume   161.89
_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  0.78  0.0  0.73  1.0
  K  K1  1  0.0  0.0  0.88  1.0
  Zn  Zn3  1  0.0  0.0  0.48  1.0
  Sn  Sn2  1  0.78  0.0  0.23  1.0

data_K2ZnSn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   10.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2ZnSn
_chemical_formula_sum   'K2 Zn1 Sn1'
_cell_volume   161.94
_cell_formula_units_Z   1
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  1  0.0  0.0  0.88  1.0
  K  K1  1  0.78  0.0  0.73  1.0
  Zn  Zn2  1  0.0  0.0  0.48  1.0
  Sn  Sn3  1  0.78  0.0  0.23  1.0

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