data_KY5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   10.19
_cell_length_c   10.19
_cell_angle_alpha   20.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY5
_chemical_formula_sum   'K1 Y5'
_cell_volume   214.0
_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  0.97  1.0
  Y  Y1  1  0.0  0.0  0.51  1.0
  Y  Y2  1  0.0  0.0  0.45  1.0
  Y  Y3  1  0.96  0.0  0.43  1.0
  Y  Y4  1  0.96  0.0  0.51  1.0
  Y  Y5  1  0.96  0.0  0.7  1.0

data_KY5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.93
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   100.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY5
_chemical_formula_sum   'K1 Y5'
_cell_volume   214.0
_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  0.03  0.0  0.03  1.0
  Y  Y1  1  0.3  0.96  0.3  1.0
  Y  Y2  1  0.49  0.0  0.49  1.0
  Y  Y3  1  0.49  0.96  0.49  1.0
  Y  Y4  1  0.55  0.0  0.55  1.0
  Y  Y5  1  0.57  0.96  0.57  1.0

K Y Y Y Y Y