data_KLa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.7
_cell_length_b   13.7
_cell_length_c   13.7
_cell_angle_alpha   15.78
_cell_angle_beta   15.78
_cell_angle_gamma   15.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa3
_chemical_formula_sum   'K1 La3'
_cell_volume   165.68
_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  0.0  0.0  0.7  1.0
  La  La2  1  0.0  0.0  0.29  1.0
  La  La3  1  0.0  0.0  0.87  1.0

data_KLa3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.51
_cell_length_b   3.76
_cell_length_c   13.7
_cell_angle_alpha   90.0
_cell_angle_beta   99.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KLa3
_chemical_formula_sum   'K2 La6'
_cell_volume   331.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  La  La1  2  0.0  0.0  0.13  1.0
  La  La2  2  0.0  0.0  0.3  1.0
  La  La3  2  0.0  0.0  0.71  1.0

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