data_La2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18
_cell_length_b   10.18
_cell_length_c   10.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Ge
_chemical_formula_sum   'La16 Ge8'
_cell_volume   746.51
_cell_formula_units_Z   8
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
  La  La8  1  0.4  0.4  0.8  1.0
  La  La9  1  0.8  0.8  0.8  1.0
  La  La10  1  0.4  0.8  0.4  1.0
  La  La11  1  0.8  0.4  0.4  1.0
  La  La12  1  0.8  0.8  0.61  1.0
  La  La13  1  0.99  0.8  0.8  1.0
  La  La14  1  0.8  0.61  0.8  1.0
  La  La15  1  0.8  0.99  0.8  1.0
  La  La16  1  0.61  0.8  0.8  1.0
  La  La17  1  0.8  0.8  0.99  1.0
  La  La18  1  0.2  0.2  0.39  1.0
  La  La19  1  0.01  0.2  0.2  1.0
  La  La20  1  0.2  0.39  0.2  1.0
  La  La21  1  0.2  0.01  0.2  1.0
  La  La22  1  0.39  0.2  0.2  1.0
  La  La23  1  0.2  0.2  0.01  1.0
  Ge  Ge0  1  0.08  0.32  0.32  1.0
  Ge  Ge1  1  0.32  0.08  0.32  1.0
  Ge  Ge2  1  0.08  0.08  0.08  1.0
  Ge  Ge3  1  0.32  0.32  0.08  1.0
  Ge  Ge4  1  0.92  0.68  0.68  1.0
  Ge  Ge5  1  0.68  0.92  0.68  1.0
  Ge  Ge6  1  0.92  0.92  0.92  1.0
  Ge  Ge7  1  0.68  0.68  0.92  1.0

data_La2Ge
_symmetry_space_group_name_H-M   R3m
_cell_length_a   10.18
_cell_length_b   10.18
_cell_length_c   24.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La2Ge
_chemical_formula_sum   'La48 Ge24'
_cell_volume   2239.54
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  La  La0  9  0.06  0.94  0.14  1.0
  La  La1  9  0.06  0.13  0.74  1.0
  La  La2  9  0.07  0.53  0.13  1.0
  La  La3  9  0.13  0.06  0.26  1.0
  La  La4  9  0.13  0.06  0.86  1.0
  La  La5  3  0.0  0.0  0.2  1.0
  Ge  Ge6  9  0.08  0.16  0.24  1.0
  Ge  Ge7  9  0.16  0.08  0.76  1.0
  Ge  Ge8  3  0.0  0.0  0.08  1.0
  Ge  Ge9  3  0.0  0.0  0.92  1.0

La La La La La La La La La La La La La La La La Ge Ge Ge Ge Ge Ge Ge Ge