data_Fe7Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06
_cell_length_b   8.06
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7Ge4
_chemical_formula_sum   'Fe14 Ge8'
_cell_volume   279.68
_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
  Fe  Fe0  1  0.93  0.11  0.73  1.0
  Fe  Fe1  1  0.1  0.87  0.24  1.0
  Fe  Fe2  1  0.13  0.11  0.73  1.0
  Fe  Fe3  1  0.9  0.87  0.24  1.0
  Fe  Fe4  1  0.03  0.76  0.73  1.0
  Fe  Fe5  1  0.0  0.23  0.24  1.0
  Fe  Fe6  1  0.0  0.0  0.48  1.0
  Fe  Fe7  1  0.0  0.0  0.0  1.0
  Fe  Fe8  1  0.98  0.49  0.48  1.0
  Fe  Fe9  1  0.02  0.49  0.48  1.0
  Fe  Fe10  1  0.98  0.49  0.0  1.0
  Fe  Fe11  1  0.03  0.0  0.48  1.0
  Fe  Fe12  1  0.02  0.49  0.0  1.0
  Fe  Fe13  1  0.03  0.0  0.0  1.0
  Ge  Ge14  1  0.74  0.66  0.73  1.0
  Ge  Ge15  1  0.3  0.33  0.24  1.0
  Ge  Ge16  1  0.26  0.66  0.73  1.0
  Ge  Ge17  1  0.77  0.33  0.24  1.0
  Ge  Ge18  1  0.0  0.65  0.73  1.0
  Ge  Ge19  1  0.03  0.33  0.24  1.0
  Ge  Ge20  1  0.03  0.33  0.73  1.0
  Ge  Ge21  1  0.0  0.66  0.24  1.0

data_Fe7Ge4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   8.06
_cell_length_c   8.06
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7Ge4
_chemical_formula_sum   'Fe14 Ge8'
_cell_volume   279.68
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.02  0.49  1.0
  Fe  Fe2  1  0.0  0.03  0.0  1.0
  Fe  Fe3  1  0.0  0.98  0.49  1.0
  Fe  Fe4  1  0.24  -0.0  0.23  1.0
  Fe  Fe5  1  0.24  0.1  0.87  1.0
  Fe  Fe6  1  0.24  0.9  0.87  1.0
  Fe  Fe7  1  0.48  0.0  0.0  1.0
  Fe  Fe8  1  0.48  0.02  0.49  1.0
  Fe  Fe9  1  0.48  0.03  0.0  1.0
  Fe  Fe10  1  0.48  0.98  0.49  1.0
  Fe  Fe11  1  0.73  0.03  0.76  1.0
  Fe  Fe12  1  0.73  0.13  0.11  1.0
  Fe  Fe13  1  0.73  0.93  0.11  1.0
  Ge  Ge14  1  0.24  -0.0  0.66  1.0
  Ge  Ge15  1  0.24  0.03  0.33  1.0
  Ge  Ge16  1  0.24  0.3  0.33  1.0
  Ge  Ge17  1  0.24  0.77  0.33  1.0
  Ge  Ge18  1  0.73  -0.0  0.65  1.0
  Ge  Ge19  1  0.73  0.03  0.33  1.0
  Ge  Ge20  1  0.73  0.26  0.66  1.0
  Ge  Ge21  1  0.73  0.74  0.66  1.0

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