data_KNbSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89
_cell_length_b   8.89
_cell_length_c   4.75
_cell_angle_alpha   104.49
_cell_angle_beta   104.49
_cell_angle_gamma   20.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbSn2
_chemical_formula_sum   'K1 Nb1 Sn2'
_cell_volume   124.93
_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  0.14  0.0  0.17  1.0
  Nb  Nb1  1  0.45  0.0  0.93  1.0
  Sn  Sn2  1  0.32  0.0  0.45  1.0
  Sn  Sn3  1  0.55  0.0  0.34  1.0

data_KNbSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.75
_cell_length_c   8.89
_cell_angle_alpha   104.49
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbSn2
_chemical_formula_sum   'K1 Nb1 Sn2'
_cell_volume   124.93
_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  0.17  0.14  1.0
  Nb  Nb1  1  0.0  0.93  0.45  1.0
  Sn  Sn2  1  0.0  0.34  0.55  1.0
  Sn  Sn3  1  0.0  0.45  0.32  1.0

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