data_K2ScTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   127.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScTi
_chemical_formula_sum   'K2 Sc1 Ti1'
_cell_volume   137.26
_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  0.61  0.72  0.63  1.0
  K  K1  1  0.61  0.28  0.63  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.21  0.0  0.0  1.0

data_K2ScTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   6.43
_cell_length_c   7.3
_cell_angle_alpha   116.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScTi
_chemical_formula_sum   'K2 Sc1 Ti1'
_cell_volume   137.26
_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  0.63  0.28  0.88  1.0
  K  K1  1  0.63  0.72  0.33  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.21  1.0

K K Sc Ti
K K Sc Ti 0 1 o o o 0 2 + + o 0 2 + + + 0 0 o o + 1 3 o o o 1 3 o o + 1 1 o o + 2 3 o o o 