data_KYCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYCl2
_chemical_formula_sum   'K1 Y1 Cl2'
_cell_volume   100.15
_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  K2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.76  0.0  0.0  1.0
  Cl  Cl0  1  0.88  0.09  0.74  1.0
  Cl  Cl1  1  0.88  0.91  0.74  1.0

data_KYCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.49
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KYCl2
_chemical_formula_sum   'K1 Y1 Cl2'
_cell_volume   100.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Y  Y1  1  -0.0  0.0  0.76  1.0
  Cl  Cl2  2  0.74  0.09  0.88  1.0

K Y Cl Cl