data_KSrSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64
_cell_length_b   9.64
_cell_length_c   9.64
_cell_angle_alpha   157.05
_cell_angle_beta   157.05
_cell_angle_gamma   32.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrSc
_chemical_formula_sum   'K1 Sr1 Sc1'
_cell_volume   136.02
_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  0.23  1.0
  Sr  Sr2  1  0.0  0.0  0.74  1.0
  Sc  Sc1  1  0.0  0.0  0.53  1.0

data_KSrSc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   106.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSrSc
_chemical_formula_sum   'K2 Sr2 Sc2'
_cell_volume   272.05
_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  0.23  0.0  0.23  1.0
  Sr  Sr1  2  0.24  0.5  0.74  1.0
  Sc  Sc2  2  0.03  0.5  0.53  1.0

K Sr Sc
K Sr Sc 0 2 o o o 1 2 o o o 