data_LiNb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   3.05
_cell_angle_alpha   100.31
_cell_angle_beta   100.31
_cell_angle_gamma   118.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Te
_chemical_formula_sum   'Li1 Nb2 Te1'
_cell_volume   74.01
_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  0.86  0.33  0.43  1.0
  Nb  Nb2  1  0.86  0.67  0.43  1.0
  Te  Te3  1  0.78  0.0  0.0  1.0

data_LiNb2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.33
_cell_length_c   5.42
_cell_angle_alpha   115.68
_cell_angle_beta   100.31
_cell_angle_gamma   101.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Te
_chemical_formula_sum   'Li1 Nb2 Te1'
_cell_volume   74.01
_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  0.1  0.67  0.53  1.0
  Nb  Nb2  1  0.76  0.33  0.19  1.0
  Te  Te3  1  -0.0  0.0  0.78  1.0

Li Nb Nb Te