data_K2ScAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   3.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   125.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScAl
_chemical_formula_sum   'K2 Sc1 Al1'
_cell_volume   138.33
_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  0.62  0.13  0.71  1.0
  K  K2  1  0.62  0.87  0.71  1.0
  Sc  Sc3  1  0.23  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   3.41
_cell_length_b   6.47
_cell_length_c   7.05
_cell_angle_alpha   117.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScAl
_chemical_formula_sum   'K2 Sc1 Al1'
_cell_volume   138.33
_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  0.71  0.13  0.75  1.0
  K  K1  1  0.71  0.87  0.48  1.0
  Sc  Sc2  1  0.0  0.0  0.23  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

K K Sc Al