data_KY2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.92
_cell_length_b   11.92
_cell_length_c   11.92
_cell_angle_alpha   18.59
_cell_angle_beta   18.59
_cell_angle_gamma   18.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Sn
_chemical_formula_sum   'K1 Y2 Sn1'
_cell_volume   150.44
_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
  Y  Y2  1  0.0  0.0  0.1  1.0
  Y  Y3  1  0.0  0.0  0.04  1.0
  Sn  Sn1  1  0.0  0.0  0.57  1.0

data_KY2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.67
_cell_length_b   3.85
_cell_length_c   11.92
_cell_angle_alpha   90.0
_cell_angle_beta   100.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KY2Sn
_chemical_formula_sum   'K2 Y4 Sn2'
_cell_volume   300.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Y  Y1  2  -0.0  0.0  0.9  1.0
  Y  Y2  2  -0.0  0.0  0.96  1.0
  Sn  Sn3  2  0.0  0.0  0.43  1.0

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