data_KSc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   7.07
_cell_angle_alpha   153.18
_cell_angle_beta   136.73
_cell_angle_gamma   51.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Cl
_chemical_formula_sum   'K1 Sc2 Cl1'
_cell_volume   108.62
_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  K1  1  0.0  0.0  0.36  1.0
  Sc  Sc2  1  0.64  0.0  0.57  1.0
  Sc  Sc3  1  0.0  0.61  0.79  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_KSc2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.21
_cell_length_c   7.07
_cell_angle_alpha   111.64
_cell_angle_beta   103.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Cl
_chemical_formula_sum   'K1 Sc2 Cl1'
_cell_volume   108.62
_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  0.64  0.64  0.64  1.0
  Sc  Sc1  1  0.07  0.43  0.07  1.0
  Sc  Sc2  1  0.21  0.82  0.82  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

K Sc Sc Cl