data_LiLaNb4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaNb4O12
_chemical_formula_sum   'Li1 La1 Nb4 O12'
_cell_volume   253.93
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.81  0.81  0.0  1.0
  Nb  Nb2  1  0.0  0.81  0.96  1.0
  Nb  Nb3  1  0.81  0.0  0.96  1.0
  Nb  Nb4  1  0.0  0.81  0.07  1.0
  Nb  Nb5  1  0.81  0.0  0.07  1.0
  O  O6  1  0.81  0.0  0.0  1.0
  O  O7  1  0.18  0.18  0.83  1.0
  O  O8  1  0.44  0.44  0.83  1.0
  O  O9  1  0.44  0.44  0.2  1.0
  O  O10  1  0.18  0.18  0.2  1.0
  O  O11  1  0.0  0.81  0.0  1.0
  O  O12  1  0.44  0.18  0.83  1.0
  O  O13  1  0.18  0.44  0.83  1.0
  O  O14  1  0.18  0.44  0.2  1.0
  O  O15  1  0.44  0.18  0.2  1.0
  O  O16  1  0.0  0.81  0.02  1.0
  O  O17  1  0.81  0.0  0.02  1.0

data_LiLaNb4O12
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.95
_cell_length_b   7.95
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiLaNb4O12
_chemical_formula_sum   'Li2 La2 Nb8 O24'
_cell_volume   507.85
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  La  La1  2  0.31  0.5  0.0  1.0
  Nb  Nb2  4  0.41  0.41  0.07  1.0
  Nb  Nb3  4  0.41  0.41  0.96  1.0
  O  O4  4  0.31  0.13  0.2  1.0
  O  O5  4  0.31  0.13  0.83  1.0
  O  O6  4  0.41  0.41  0.02  1.0
  O  O7  4  0.41  0.41  0.0  1.0
  O  O8  2  0.18  0.0  0.2  1.0
  O  O9  2  0.18  0.0  0.83  1.0
  O  O10  2  0.44  0.0  0.2  1.0
  O  O11  2  0.44  0.0  0.83  1.0

Li La Nb Nb Nb Nb O O O O O O O O O O O O
Li La Nb Nb Nb Nb O O O O O O O O O O O O 0 3 - o - 0 17 - o o 0 6 - o o 0 5 - o o 0 2 o - - 0 16 o - o 0 11 o - o 0 4 o - o 1 2 + o - 1 3 o + - 1 16 + o o 1 11 + o o 1 4 + o o 1 17 o + o 1 6 o + o 1 5 o + o 2 11 o o + 3 6 o o + 4 16 o o o 5 17 o o o 6 17 o o o 7 13 o o o 7 12 o o o 8 13 o o o 8 12 o o o 9 14 o o o 9 15 o o o 10 15 o o o 10 14 o o o 11 16 o o o 