data_LiNdGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79
_cell_length_b   3.96
_cell_length_c   10.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNdGe2
_chemical_formula_sum   'Li4 Nd4 Ge8'
_cell_volume   329.61
_cell_formula_units_Z   4
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  Li8  1  0.07  0.97  0.52  1.0
  Li  Li9  1  0.97  0.97  0.49  1.0
  Li  Li10  1  0.82  0.99  0.19  1.0
  Li  Li11  1  0.71  0.99  0.15  1.0
  Nd  Nd12  1  0.98  0.99  0.78  1.0
  Nd  Nd13  1  0.08  0.99  0.24  1.0
  Nd  Nd14  1  0.7  0.97  0.44  1.0
  Nd  Nd15  1  0.81  0.97  0.9  1.0
  Ge  Ge0  1  0.72  0.99  0.04  1.0
  Ge  Ge1  1  0.68  0.97  0.3  1.0
  Ge  Ge2  1  0.57  0.97  0.72  1.0
  Ge  Ge3  1  0.61  0.99  0.98  1.0
  Ge  Ge4  1  0.18  0.97  0.7  1.0
  Ge  Ge5  1  0.22  0.99  0.96  1.0
  Ge  Ge6  1  0.11  0.99  0.38  1.0
  Ge  Ge7  1  0.07  0.97  0.64  1.0

data_LiNdGe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.96
_cell_length_b   7.79
_cell_length_c   10.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiNdGe2
_chemical_formula_sum   'Li4 Nd4 Ge8'
_cell_volume   329.61
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.01  0.82  0.31  1.0
  Li  Li1  2  0.01  0.93  0.35  1.0
  Nd  Nd2  2  0.01  0.08  0.94  1.0
  Nd  Nd3  2  0.01  0.19  0.4  1.0
  Ge  Ge4  2  0.01  0.22  0.54  1.0
  Ge  Ge5  2  0.01  0.32  0.12  1.0
  Ge  Ge6  2  0.01  0.72  0.14  1.0
  Ge  Ge7  2  0.01  0.82  0.2  1.0

Li Li Li Li Nd Nd Nd Nd Ge Ge Ge Ge Ge Ge Ge Ge