data_KNaY2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   7.48
_cell_angle_alpha   95.12
_cell_angle_beta   95.12
_cell_angle_gamma   32.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaY2
_chemical_formula_sum   'K1 Na1 Y2'
_cell_volume   158.36
_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  0.68  0.0  0.61  1.0
  Na  Na1  1  0.86  0.0  0.76  1.0
  Y  Y2  1  0.42  0.0  0.21  1.0
  Y  Y3  1  0.62  0.0  0.03  1.0

data_KNaY2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   6.31
_cell_length_c   7.48
_cell_angle_alpha   95.12
_cell_angle_beta   90.0
_cell_angle_gamma   106.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaY2
_chemical_formula_sum   'K1 Na1 Y2'
_cell_volume   158.36
_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  0.32  0.39  1.0
  Na  Na1  1  0.0  0.14  0.24  1.0
  Y  Y2  1  0.0  0.38  0.97  1.0
  Y  Y3  1  0.0  0.58  0.79  1.0

K Na Y Y
K Na Y Y 0 1 o o o 2 3 o o o 