data_KLa2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   4.55
_cell_length_c   8.93
_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   152.73
_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  0.88  0.27  0.34  1.0
  La  La2  1  0.0  0.0  0.66  1.0
  La  La3  1  0.88  0.27  0.55  1.0
  Al  Al0  1  0.0  0.0  0.84  1.0

data_KLa2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.55
_cell_length_c   8.93
_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   152.73
_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  0.88  0.27  0.34  1.0
  La  La1  1  0.0  0.0  0.66  1.0
  La  La2  1  0.88  0.27  0.55  1.0
  Al  Al3  1  0.0  0.0  0.84  1.0

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