data_KLi2La
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   152.31
_cell_angle_beta   130.17
_cell_angle_gamma   57.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2La
_chemical_formula_sum   'K1 Li2 La1'
_cell_volume   137.16
_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  0.08  1.0
  Li  Li2  1  0.0  0.0  0.41  1.0
  Li  Li3  1  0.75  0.0  0.78  1.0
  La  La1  1  0.0  0.07  0.5  1.0

data_KLi2La
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   6.15
_cell_length_c   7.3
_cell_angle_alpha   114.91
_cell_angle_beta   103.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2La
_chemical_formula_sum   'K1 Li2 La1'
_cell_volume   137.16
_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  0.92  0.92  0.92  1.0
  Li  Li1  1  0.59  0.59  0.59  1.0
  Li  Li2  1  0.97  0.22  0.97  1.0
  La  La3  1  0.5  0.57  0.57  1.0

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