data_FeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe
_chemical_formula_sum   'Fe2 Ge2'
_cell_volume   57.83
_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  0.52  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.82  0.05  0.79  1.0
  Ge  Ge3  1  0.0  0.1  0.26  1.0

data_FeGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeGe
_chemical_formula_sum   'Fe2 Ge2'
_cell_volume   57.83
_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  0.0  0.52  1.0
  Ge  Ge2  1  -0.0  0.1  0.26  1.0
  Ge  Ge3  1  0.82  0.05  0.79  1.0

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