data_K12Y17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.42
_cell_length_b   11.42
_cell_length_c   11.42
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K12Y17
_chemical_formula_sum   'K12 Y17'
_cell_volume   1146.32
_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  0.13  0.63  0.87  1.0
  K  K1  1  0.87  0.63  0.13  1.0
  K  K2  1  0.46  0.96  0.46  1.0
  K  K3  1  0.13  0.55  0.13  1.0
  K  K4  1  0.63  0.13  0.87  1.0
  K  K5  1  0.63  0.87  0.13  1.0
  K  K6  1  0.55  0.13  0.13  1.0
  K  K7  1  0.96  0.46  0.46  1.0
  K  K8  1  0.13  0.13  0.55  1.0
  K  K9  1  0.46  0.46  0.96  1.0
  K  K10  1  0.13  0.87  0.63  1.0
  K  K11  1  0.87  0.13  0.63  1.0
  Y  Y12  1  0.14  0.99  0.86  1.0
  Y  Y13  1  0.86  0.99  0.14  1.0
  Y  Y14  1  0.86  0.19  0.86  1.0
  Y  Y15  1  0.73  0.6  0.73  1.0
  Y  Y16  1  0.99  0.14  0.86  1.0
  Y  Y17  1  0.99  0.86  0.14  1.0
  Y  Y18  1  0.6  0.73  0.73  1.0
  Y  Y19  1  0.19  0.86  0.86  1.0
  Y  Y20  1  0.73  0.73  0.6  1.0
  Y  Y21  1  0.86  0.86  0.19  1.0
  Y  Y22  1  0.14  0.86  0.99  1.0
  Y  Y23  1  0.86  0.14  0.99  1.0
  Y  Y24  1  0.04  0.04  0.96  1.0
  Y  Y25  1  0.96  0.04  0.04  1.0
  Y  Y26  1  0.55  0.55  0.55  1.0
  Y  Y27  1  0.04  0.96  0.04  1.0
  Y  Y28  1  0.0  0.0  0.0  1.0

data_K12Y17
_symmetry_space_group_name_H-M   R3m
_cell_length_a   18.65
_cell_length_b   18.65
_cell_length_c   11.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K12Y17
_chemical_formula_sum   'K36 Y51'
_cell_volume   3438.96
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  0.09  0.41  0.54  1.0
  K  K1  9  0.0  0.5  0.96  1.0
  K  K2  9  0.19  0.39  0.94  1.0
  Y  Y3  18  0.14  0.0  1.0  1.0
  Y  Y4  9  0.03  0.05  0.01  1.0
  Y  Y5  9  0.04  0.09  0.69  1.0
  Y  Y6  9  0.22  0.11  0.97  1.0
  Y  Y7  3  0.0  0.0  0.0  1.0
  Y  Y8  3  0.0  0.0  0.55  1.0

K K K K K K K K K K K K Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y Y