data_Li2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Nb
_chemical_formula_sum   'Li6 Nb3'
_cell_volume   144.57
_cell_formula_units_Z   3
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  0.29  0.0  0.31  1.0
  Li  Li1  1  0.35  0.12  0.31  1.0
  Li  Li2  1  0.36  0.08  0.31  1.0
  Li  Li3  1  0.06  0.0  0.0  1.0
  Li  Li4  1  0.47  0.65  0.0  1.0
  Li  Li5  1  0.47  0.55  0.0  1.0
  Nb  Nb6  1  0.0  0.47  0.31  1.0
  Nb  Nb7  1  0.0  0.73  0.31  1.0
  Nb  Nb8  1  0.0  0.0  0.0  1.0

data_Li2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Nb
_chemical_formula_sum   'Li6 Nb3'
_cell_volume   144.57
_cell_formula_units_Z   3
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  0.06  0.0  1.0
  Li  Li1  1  0.0  0.47  0.55  1.0
  Li  Li2  1  0.0  0.47  0.65  1.0
  Li  Li3  1  0.31  0.29  0.0  1.0
  Li  Li4  1  0.31  0.35  0.12  1.0
  Li  Li5  1  0.31  0.36  0.08  1.0
  Nb  Nb6  1  0.0  0.0  0.0  1.0
  Nb  Nb7  1  0.31  0.0  0.47  1.0
  Nb  Nb8  1  0.31  0.0  0.73  1.0

Li Li Li Li Li Li Nb Nb Nb