data_FeSiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   139.24
_cell_angle_beta   136.63
_cell_angle_gamma   61.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiGe
_chemical_formula_sum   'Fe1 Si1 Ge1'
_cell_volume   39.17
_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  0.0  0.0  0.62  1.0
  Si  Si2  1  0.0  0.0  0.63  1.0
  Ge  Ge1  1  0.0  0.0  0.1  1.0

data_FeSiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.29
_cell_length_c   4.45
_cell_angle_alpha   111.69
_cell_angle_beta   110.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiGe
_chemical_formula_sum   'Fe1 Si1 Ge1'
_cell_volume   39.17
_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  0.38  0.38  0.38  1.0
  Si  Si1  1  0.37  0.37  0.37  1.0
  Ge  Ge2  1  0.9  0.9  0.9  1.0

Fe Si Ge
Fe Si Ge 0 1 o o o 0 2 o o + 0 2 o o o 1 2 o o + 1 2 o o o 