data_LiNb2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Ge
_chemical_formula_sum   'Li1 Nb2 Ge1'
_cell_volume   64.05
_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  Li1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.4  0.97  0.45  1.0
  Nb  Nb3  1  0.4  0.03  0.45  1.0
  Ge  Ge0  1  0.8  0.0  0.0  1.0

data_LiNb2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   109.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Ge
_chemical_formula_sum   'Li1 Nb2 Ge1'
_cell_volume   64.05
_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  0.45  0.4  0.03  1.0
  Nb  Nb2  1  0.45  0.4  0.97  1.0
  Ge  Ge3  1  0.0  0.8  0.0  1.0

Li Nb Nb Ge