data_KY2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   6.65
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Cl
_chemical_formula_sum   'K1 Y2 Cl1'
_cell_volume   137.05
_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  K1  1  0.83  0.0  0.79  1.0
  Y  Y2  1  0.82  0.32  0.17  1.0
  Y  Y3  1  0.84  0.32  0.41  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_KY2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.58
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Cl
_chemical_formula_sum   'K1 Y2 Cl1'
_cell_volume   137.05
_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  0.17  0.21  0.0  1.0
  Y  Y1  1  0.16  0.59  0.68  1.0
  Y  Y2  1  0.18  0.83  0.68  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

K Y Y Cl
K Y Y Cl 0 3 + o + 1 2 o o o 