data_KLi2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.86
_cell_length_b   11.86
_cell_length_c   11.86
_cell_angle_alpha   14.78
_cell_angle_beta   14.78
_cell_angle_gamma   14.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Nb
_chemical_formula_sum   'K1 Li2 Nb1'
_cell_volume   94.4
_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
  Li  Li1  1  0.0  0.0  0.82  1.0
  Li  Li2  1  0.0  0.0  0.35  1.0
  Nb  Nb3  1  0.0  0.0  0.59  1.0

data_KLi2Nb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   3.05
_cell_length_c   11.86
_cell_angle_alpha   90.0
_cell_angle_beta   98.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KLi2Nb
_chemical_formula_sum   'K2 Li4 Nb2'
_cell_volume   188.79
_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
  Li  Li1  2  0.0  0.0  0.18  1.0
  Li  Li2  2  0.0  0.0  0.65  1.0
  Nb  Nb3  2  0.0  0.0  0.41  1.0

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