data_K2ScAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   3.47
_cell_angle_alpha   102.81
_cell_angle_beta   102.81
_cell_angle_gamma   127.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScAl
_chemical_formula_sum   'K2 Sc1 Al1'
_cell_volume   126.55
_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  0.74  0.28  0.5  1.0
  K  K2  1  0.74  0.72  0.5  1.0
  Sc  Sc3  1  0.22  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_K2ScAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.57
_cell_length_c   7.31
_cell_angle_alpha   111.8
_cell_angle_beta   102.81
_cell_angle_gamma   92.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScAl
_chemical_formula_sum   'K2 Sc1 Al1'
_cell_volume   126.55
_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  0.22  0.72  0.46  1.0
  K  K1  1  0.78  0.28  0.02  1.0
  Sc  Sc2  1  -0.0  0.0  0.22  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

K K Sc Al