data_K3Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   14.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Y
_chemical_formula_sum   'K12 Y4'
_cell_volume   900.39
_cell_formula_units_Z   4
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  0.85  0.72  0.04  1.0
  K  K1  1  0.85  0.72  0.0  1.0
  K  K2  1  0.15  0.72  0.04  1.0
  K  K3  1  0.3  0.0  0.04  1.0
  K  K4  1  0.3  0.0  0.0  1.0
  K  K5  1  0.15  0.72  0.0  1.0
  K  K6  1  0.22  0.24  0.57  1.0
  K  K7  1  0.07  0.2  0.52  1.0
  K  K8  1  0.78  0.24  0.57  1.0
  K  K9  1  0.0  0.39  0.57  1.0
  K  K10  1  0.3  0.05  0.52  1.0
  K  K11  1  0.52  0.2  0.52  1.0
  Y  Y12  1  0.0  0.0  0.04  1.0
  Y  Y13  1  0.0  0.0  0.0  1.0
  Y  Y14  1  0.3  0.48  0.57  1.0
  Y  Y15  1  0.0  0.96  0.52  1.0

data_K3Y
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   14.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Y
_chemical_formula_sum   'K12 Y4'
_cell_volume   900.39
_cell_formula_units_Z   4
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  0.39  0.57  1.0
  K  K1  1  0.07  0.2  0.52  1.0
  K  K2  1  0.15  0.72  -0.0  1.0
  K  K3  1  0.15  0.72  0.04  1.0
  K  K4  1  0.22  0.24  0.57  1.0
  K  K5  1  0.3  0.0  -0.0  1.0
  K  K6  1  0.3  0.0  0.04  1.0
  K  K7  1  0.3  0.05  0.52  1.0
  K  K8  1  0.52  0.2  0.52  1.0
  K  K9  1  0.78  0.24  0.57  1.0
  K  K10  1  0.85  0.72  -0.0  1.0
  K  K11  1  0.85  0.72  0.04  1.0
  Y  Y12  1  -0.0  0.96  0.52  1.0
  Y  Y13  1  0.0  0.0  0.0  1.0
  Y  Y14  1  0.0  0.0  0.04  1.0
  Y  Y15  1  0.3  0.48  0.57  1.0

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