data_LiNb2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   139.99
_cell_angle_beta   126.91
_cell_angle_gamma   68.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Sn
_chemical_formula_sum   'Li1 Nb2 Sn1'
_cell_volume   71.92
_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  0.18  1.0
  Nb  Nb1  1  0.79  0.0  0.02  1.0
  Nb  Nb2  1  0.0  0.0  0.57  1.0
  Sn  Sn3  1  0.79  0.0  0.18  1.0

data_LiNb2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.67
_cell_length_c   5.22
_cell_angle_alpha   116.54
_cell_angle_beta   110.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Sn
_chemical_formula_sum   'Li1 Nb2 Sn1'
_cell_volume   71.92
_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  0.82  0.82  0.82  1.0
  Nb  Nb1  1  0.43  0.43  0.43  1.0
  Nb  Nb2  1  0.77  0.98  0.77  1.0
  Sn  Sn3  1  0.6  0.82  0.6  1.0

Li Nb Nb Sn