data_LiNbSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   3.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbSb2
_chemical_formula_sum   'Li1 Nb1 Sb2'
_cell_volume   80.65
_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
  Nb  Nb1  1  0.27  0.0  0.0  1.0
  Sb  Sb2  1  0.64  0.26  0.77  1.0
  Sb  Sb3  1  0.64  0.74  0.77  1.0

data_LiNbSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   93.68
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbSb2
_chemical_formula_sum   'Li1 Nb1 Sb2'
_cell_volume   80.65
_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
  Nb  Nb1  1  -0.0  0.27  0.0  1.0
  Sb  Sb2  1  0.77  0.64  0.26  1.0
  Sb  Sb3  1  0.77  0.64  0.74  1.0

Li Nb Sb Sb
Li Nb Sb Sb 0 1 o o o 0 2 - o - 0 3 - - - 1 2 o o - 1 3 o - - 2 3 o o o 2 3 o - o 