data_KSc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   5.06
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   100.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Sb
_chemical_formula_sum   'K1 Sc2 Sb1'
_cell_volume   119.36
_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  0.0  0.0  1.0
  Sc  Sc2  1  0.19  0.53  0.69  1.0
  Sc  Sc3  1  0.97  0.53  0.16  1.0
  Sb  Sb1  1  0.08  0.0  0.43  1.0

data_KSc2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.06
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   100.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Sb
_chemical_formula_sum   'K1 Sc2 Sb1'
_cell_volume   119.36
_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  0.0  0.0  1.0
  Sc  Sc1  1  0.19  0.53  0.69  1.0
  Sc  Sc2  1  0.97  0.53  0.16  1.0
  Sb  Sb3  1  0.08  0.0  0.43  1.0

K Sc Sc Sb