data_Fe3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ge
_chemical_formula_sum   'Fe12 Ge4'
_cell_volume   279.93
_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
  Fe  Fe0  1  0.54  0.52  0.76  1.0
  Fe  Fe1  1  0.54  0.52  0.0  1.0
  Fe  Fe2  1  0.46  0.52  0.76  1.0
  Fe  Fe3  1  0.91  0.0  0.76  1.0
  Fe  Fe4  1  0.91  0.0  0.0  1.0
  Fe  Fe5  1  0.46  0.52  0.0  1.0
  Fe  Fe6  1  0.44  0.19  0.14  1.0
  Fe  Fe7  1  0.48  0.85  0.38  1.0
  Fe  Fe8  1  0.56  0.19  0.14  1.0
  Fe  Fe9  1  0.0  0.71  0.14  1.0
  Fe  Fe10  1  0.91  0.34  0.38  1.0
  Fe  Fe11  1  0.35  0.85  0.38  1.0
  Ge  Ge12  1  0.0  0.0  0.76  1.0
  Ge  Ge13  1  0.0  0.0  0.0  1.0
  Ge  Ge14  1  0.91  0.68  0.14  1.0
  Ge  Ge15  1  0.0  0.36  0.38  1.0

data_Fe3Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ge
_chemical_formula_sum   'Fe12 Ge4'
_cell_volume   279.93
_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
  Fe  Fe0  1  0.0  0.71  0.14  1.0
  Fe  Fe1  1  0.35  0.85  0.38  1.0
  Fe  Fe2  1  0.44  0.19  0.14  1.0
  Fe  Fe3  1  0.46  0.52  -0.0  1.0
  Fe  Fe4  1  0.46  0.52  0.76  1.0
  Fe  Fe5  1  0.48  0.85  0.38  1.0
  Fe  Fe6  1  0.54  0.52  -0.0  1.0
  Fe  Fe7  1  0.54  0.52  0.76  1.0
  Fe  Fe8  1  0.56  0.19  0.14  1.0
  Fe  Fe9  1  0.91  0.0  -0.0  1.0
  Fe  Fe10  1  0.91  0.0  0.76  1.0
  Fe  Fe11  1  0.91  0.34  0.38  1.0
  Ge  Ge12  1  0.0  0.0  0.0  1.0
  Ge  Ge13  1  0.0  0.0  0.76  1.0
  Ge  Ge14  1  0.0  0.36  0.38  1.0
  Ge  Ge15  1  0.91  0.68  0.14  1.0

Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Ge Ge Ge Ge