data_KNa2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   6.17
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   97.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Sc
_chemical_formula_sum   'K1 Na2 Sc1'
_cell_volume   147.38
_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  0.09  0.0  0.29  1.0
  Na  Na1  1  0.35  0.09  0.03  1.0
  Na  Na2  1  0.44  0.0  0.9  1.0
  Sc  Sc3  1  0.24  0.09  0.28  1.0

data_KNa2Sc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   6.17
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   97.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Sc
_chemical_formula_sum   'K1 Na2 Sc1'
_cell_volume   147.38
_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  0.09  0.0  0.29  1.0
  Na  Na1  1  0.35  0.09  0.03  1.0
  Na  Na2  1  0.44  0.0  0.9  1.0
  Sc  Sc3  1  0.24  0.09  0.28  1.0

K Na Na Sc
K Na Na Sc 0 3 o o o 1 2 o o - 