data_La4Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   12.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   133.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Ge7
_chemical_formula_sum   'La8 Ge14'
_cell_volume   544.96
_cell_formula_units_Z   2
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  La0  1  0.54  0.35  0.83  1.0
  La  La1  1  0.61  0.65  0.67  1.0
  La  La2  1  0.61  0.35  0.65  1.0
  La  La3  1  0.54  0.65  0.49  1.0
  La  La4  1  0.08  0.06  0.24  1.0
  La  La5  1  0.08  0.94  0.08  1.0
  La  La6  1  0.06  0.0  0.16  1.0
  La  La7  1  0.09  0.0  0.0  1.0
  Ge  Ge8  1  0.08  0.8  0.24  1.0
  Ge  Ge9  1  0.08  0.2  0.08  1.0
  Ge  Ge10  1  0.53  0.5  0.72  1.0
  Ge  Ge11  1  0.63  0.5  0.56  1.0
  Ge  Ge12  1  0.63  0.5  0.76  1.0
  Ge  Ge13  1  0.53  0.5  0.6  1.0
  Ge  Ge14  1  0.04  0.83  0.12  1.0
  Ge  Ge15  1  0.12  0.17  0.95  1.0
  Ge  Ge16  1  0.12  0.83  0.37  1.0
  Ge  Ge17  1  0.04  0.17  0.21  1.0
  Ge  Ge18  1  0.18  0.74  0.26  1.0
  Ge  Ge19  1  0.98  0.26  0.1  1.0
  Ge  Ge20  1  0.98  0.74  0.22  1.0
  Ge  Ge21  1  0.18  0.26  0.06  1.0

data_La4Ge7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.15
_cell_length_b   7.82
_cell_length_c   12.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Ge7
_chemical_formula_sum   'La8 Ge14'
_cell_volume   544.96
_cell_formula_units_Z   2
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  La0  1  0.0  0.06  0.16  1.0
  La  La1  1  0.0  0.09  0.0  1.0
  La  La2  1  0.06  0.14  0.08  1.0
  La  La3  1  0.35  0.89  0.49  1.0
  La  La4  1  0.35  0.96  0.67  1.0
  La  La5  1  0.65  0.2  0.83  1.0
  La  La6  1  0.65  0.26  0.65  1.0
  La  La7  1  0.94  0.02  0.24  1.0
  Ge  Ge8  1  0.17  0.2  0.12  1.0
  Ge  Ge9  1  0.17  0.28  0.37  1.0
  Ge  Ge10  1  0.2  0.28  0.24  1.0
  Ge  Ge11  1  0.26  0.23  0.22  1.0
  Ge  Ge12  1  0.26  0.43  0.26  1.0
  Ge  Ge13  1  0.5  0.03  0.6  1.0
  Ge  Ge14  1  0.5  0.12  0.56  1.0
  Ge  Ge15  1  0.5  0.03  0.72  1.0
  Ge  Ge16  1  0.5  0.13  0.76  1.0
  Ge  Ge17  1  0.74  0.72  0.1  1.0
  Ge  Ge18  1  0.74  0.92  0.06  1.0
  Ge  Ge19  1  0.8  0.88  0.08  1.0
  Ge  Ge20  1  0.83  0.87  0.21  1.0
  Ge  Ge21  1  0.83  0.95  0.95  1.0

La La La La La La La La Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge
La La La La La La La La Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge 0 12 o o o 1 13 o o o 1 10 o o o 2 13 o o o 2 11 o o o 2 12 o o o 2 10 o o o 3 13 o o o 3 11 o o o 4 17 o o o 4 6 o o o 5 14 o o o 5 6 o + o 5 7 o + o 7 15 o o - 8 20 - o o 8 16 o o o 8 18 o o o 9 21 o o o 9 19 - o o 10 12 o o o 11 13 o o o 15 21 o o + 16 18 o o o 