data_KSc2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.81
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Ti
_chemical_formula_sum   'K1 Sc2 Ti1'
_cell_volume   121.16
_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  0.0  0.69  1.0
  Sc  Sc1  1  0.74  0.9  0.74  1.0
  Sc  Sc2  1  0.0  0.0  0.49  1.0
  Ti  Ti3  1  0.74  0.9  0.79  1.0

data_KSc2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.81
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Ti
_chemical_formula_sum   'K1 Sc2 Ti1'
_cell_volume   121.16
_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  0.0  0.69  1.0
  Sc  Sc1  1  0.0  0.0  0.49  1.0
  Sc  Sc2  1  0.74  0.9  0.74  1.0
  Ti  Ti3  1  0.74  0.9  0.79  1.0

K Sc Sc Ti