data_Fe2SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SiGe
_chemical_formula_sum   'Fe2 Si1 Ge1'
_cell_volume   45.33
_cell_formula_units_Z   1
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  0.41  0.41  0.36  1.0
  Fe  Fe1  1  0.41  0.41  0.33  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.85  1.0

data_Fe2SiGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2SiGe
_chemical_formula_sum   'Fe4 Si2 Ge2'
_cell_volume   90.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.41  0.0  0.33  1.0
  Fe  Fe1  2  0.41  0.0  0.36  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Ge  Ge3  2  0.0  0.0  0.85  1.0

Fe Fe Si Ge