data_K2YSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2YSc
_chemical_formula_sum   'K2 Y1 Sc1'
_cell_volume   157.2
_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  0.47  0.0  0.21  1.0
  K  K1  1  0.0  0.47  0.21  1.0
  Y  Y3  1  0.47  0.47  0.0  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0

data_K2YSc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2YSc
_chemical_formula_sum   'K4 Y2 Sc2'
_cell_volume   314.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.24  0.24  0.21  1.0
  Y  Y1  2  0.47  0.0  0.0  1.0
  Sc  Sc2  2  0.0  0.0  0.0  1.0

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