data_KLa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   10.95
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2
_chemical_formula_sum   'K2 La4'
_cell_volume   252.7
_cell_formula_units_Z   2
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
  K  K1  1  0.79  0.48  0.23  1.0
  La  La2  1  0.7  0.67  0.0  1.0
  La  La3  1  0.88  0.28  0.0  1.0
  La  La4  1  0.91  0.8  0.23  1.0
  La  La5  1  0.67  0.15  0.23  1.0

data_KLa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   6.45
_cell_length_c   10.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2
_chemical_formula_sum   'K2 La4'
_cell_volume   252.7
_cell_formula_units_Z   2
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
  K  K1  1  0.21  0.77  0.52  1.0
  La  La2  1  0.09  0.77  0.2  1.0
  La  La3  1  0.12  0.0  0.72  1.0
  La  La4  1  0.3  0.0  0.33  1.0
  La  La5  1  0.33  0.77  0.85  1.0

K K La La La La