data_KSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   8.68
_cell_angle_alpha   106.61
_cell_angle_beta   106.61
_cell_angle_gamma   27.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2
_chemical_formula_sum   'K2 Sc4'
_cell_volume   191.91
_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  0.08  0.0  0.04  1.0
  K  K1  1  0.22  0.0  0.77  1.0
  Sc  Sc2  1  0.93  0.0  0.47  1.0
  Sc  Sc3  1  0.56  0.0  0.61  1.0
  Sc  Sc4  1  0.98  0.0  0.13  1.0
  Sc  Sc5  1  0.88  0.0  0.48  1.0

data_KSc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   7.1
_cell_length_c   8.68
_cell_angle_alpha   106.61
_cell_angle_beta   90.0
_cell_angle_gamma   103.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2
_chemical_formula_sum   'K2 Sc4'
_cell_volume   191.91
_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  0.78  0.23  1.0
  K  K1  1  0.0  0.92  0.96  1.0
  Sc  Sc2  1  0.0  0.02  0.87  1.0
  Sc  Sc3  1  0.0  0.07  0.53  1.0
  Sc  Sc4  1  0.0  0.12  0.52  1.0
  Sc  Sc5  1  0.0  0.44  0.39  1.0

K K Sc Sc Sc Sc