data_K2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18
_cell_length_b   8.18
_cell_length_c   10.25
_cell_angle_alpha   106.48
_cell_angle_beta   106.48
_cell_angle_gamma   26.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Sc
_chemical_formula_sum   'K4 Sc2'
_cell_volume   288.02
_cell_formula_units_Z   2
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  0.12  0.0  0.62  1.0
  K  K1  1  0.4  0.0  0.36  1.0
  K  K2  1  0.35  0.0  0.55  1.0
  K  K3  1  0.33  0.0  0.73  1.0
  Sc  Sc4  1  0.39  0.0  0.53  1.0
  Sc  Sc5  1  0.51  0.0  0.79  1.0

data_K2Sc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   8.18
_cell_length_c   10.25
_cell_angle_alpha   106.48
_cell_angle_beta   90.0
_cell_angle_gamma   103.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Sc
_chemical_formula_sum   'K4 Sc2'
_cell_volume   288.02
_cell_formula_units_Z   2
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  0.6  0.64  1.0
  K  K1  1  0.0  0.65  0.45  1.0
  K  K2  1  0.0  0.67  0.27  1.0
  K  K3  1  0.0  0.88  0.38  1.0
  Sc  Sc4  1  0.0  0.49  0.21  1.0
  Sc  Sc5  1  0.0  0.61  0.47  1.0

K K K K Sc Sc