data_KY2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   7.52
_cell_length_c   7.52
_cell_angle_alpha   153.41
_cell_angle_beta   137.49
_cell_angle_gamma   50.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Cl
_chemical_formula_sum   'K1 Y2 Cl1'
_cell_volume   128.23
_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  0.0  0.0  0.79  1.0
  Y  Y2  1  0.73  0.0  0.68  1.0
  Y  Y3  1  0.0  0.73  0.11  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   3.46
_cell_length_b   5.46
_cell_length_c   7.52
_cell_angle_alpha   111.26
_cell_angle_beta   103.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Cl
_chemical_formula_sum   'K1 Y2 Cl1'
_cell_volume   128.23
_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  0.79  0.79  1.0
  Y  Y1  1  0.0  0.68  0.95  1.0
  Y  Y2  1  0.27  0.39  0.39  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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