data_K2LiLa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   153.32
_cell_angle_beta   133.24
_cell_angle_gamma   54.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiLa
_chemical_formula_sum   'K2 Li1 La1'
_cell_volume   174.97
_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  0.23  0.23  1.0
  K  K1  1  0.88  0.0  1.0  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  La  La2  1  0.0  0.0  0.22  1.0

data_K2LiLa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   6.45
_cell_length_c   8.13
_cell_angle_alpha   113.38
_cell_angle_beta   103.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiLa
_chemical_formula_sum   'K2 Li1 La1'
_cell_volume   174.97
_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  0.77  0.0  0.0  1.0
  K  K1  1  0.88  0.0  0.88  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  La  La3  1  0.78  0.78  0.78  1.0

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