data_KLa2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   5.67
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Al
_chemical_formula_sum   'K1 La2 Al1'
_cell_volume   136.36
_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  0.04  0.0  0.94  1.0
  La  La2  1  0.04  0.83  0.0  1.0
  La  La3  1  0.0  0.83  0.94  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_KLa2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   5.67
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Al
_chemical_formula_sum   'K1 La2 Al1'
_cell_volume   136.36
_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  0.04  0.0  0.94  1.0
  La  La1  1  0.0  0.83  0.94  1.0
  La  La2  1  0.04  0.83  0.0  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

K La La Al
K La La Al 0 3 o o + 1 2 o o - 