data_KLa2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.17
_cell_length_c   3.49
_cell_angle_alpha   100.86
_cell_angle_beta   100.86
_cell_angle_gamma   117.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Sc
_chemical_formula_sum   'K1 La2 Sc1'
_cell_volume   147.59
_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  0.0  0.0  0.0  1.0
  La  La1  1  0.22  0.07  0.62  1.0
  La  La2  1  0.22  0.93  0.62  1.0
  Sc  Sc3  1  0.7  0.0  0.0  1.0

data_KLa2Sc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   6.94
_cell_length_c   7.17
_cell_angle_alpha   117.17
_cell_angle_beta   100.86
_cell_angle_gamma   96.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Sc
_chemical_formula_sum   'K1 La2 Sc1'
_cell_volume   147.59
_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  0.0  0.0  0.0  1.0
  La  La1  1  0.56  0.93  0.15  1.0
  La  La2  1  0.69  0.07  0.28  1.0
  Sc  Sc3  1  -0.0  0.0  0.7  1.0

K La La Sc