data_KSc2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.66
_cell_length_b   10.66
_cell_length_c   10.66
_cell_angle_alpha   21.47
_cell_angle_beta   21.47
_cell_angle_gamma   21.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Sb
_chemical_formula_sum   'K1 Sc2 Sb1'
_cell_volume   142.18
_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  0.0  0.0  0.33  1.0
  Sc  Sc3  1  0.0  0.0  0.9  1.0
  Sb  Sb1  1  0.0  0.0  0.61  1.0

data_KSc2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.88
_cell_length_b   3.97
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSc2Sb
_chemical_formula_sum   'K2 Sc4 Sb2'
_cell_volume   284.36
_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  2  0.0  0.0  0.0  1.0
  Sc  Sc1  2  0.0  0.0  0.1  1.0
  Sc  Sc2  2  0.0  0.0  0.67  1.0
  Sb  Sb3  2  0.0  0.0  0.39  1.0

K Sc Sc Sb