data_KScSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44
_cell_length_b   9.44
_cell_length_c   4.1
_cell_angle_alpha   99.24
_cell_angle_beta   99.24
_cell_angle_gamma   20.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScSb2
_chemical_formula_sum   'K1 Sc1 Sb2'
_cell_volume   125.49
_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  0.62  0.0  0.37  1.0
  Sc  Sc3  1  0.69  0.0  0.97  1.0
  Sb  Sb1  1  0.86  0.0  0.73  1.0
  Sb  Sb2  1  0.59  0.0  0.04  1.0

data_KScSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.1
_cell_length_c   9.44
_cell_angle_alpha   99.24
_cell_angle_beta   100.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScSb2
_chemical_formula_sum   'K1 Sc1 Sb2'
_cell_volume   125.49
_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  0.37  0.62  1.0
  Sc  Sc1  1  0.0  0.97  0.69  1.0
  Sb  Sb2  1  0.0  0.04  0.59  1.0
  Sb  Sb3  1  0.0  0.73  0.86  1.0

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