data_Fe2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   141.8
_cell_angle_beta   129.72
_cell_angle_gamma   64.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GeSb
_chemical_formula_sum   'Fe2 Ge1 Sb1'
_cell_volume   63.13
_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  0.5  1.0
  Fe  Fe1  1  0.0  0.18  0.22  1.0
  Ge  Ge2  1  0.0  0.0  0.49  1.0
  Sb  Sb3  1  0.68  0.0  0.09  1.0

data_Fe2GeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.35
_cell_length_c   5.12
_cell_angle_alpha   115.14
_cell_angle_beta   109.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2GeSb
_chemical_formula_sum   'Fe2 Ge1 Sb1'
_cell_volume   63.13
_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  0.5  0.5  1.0
  Fe  Fe1  1  0.82  0.04  0.04  1.0
  Ge  Ge2  1  0.0  0.49  0.49  1.0
  Sb  Sb3  1  0.0  0.09  0.42  1.0

Fe Fe Ge Sb
Fe Fe Ge Sb 0 2 o o o 0 3 - o o 1 3 - o o 2 3 - o o 