data_Fe3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.97
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ge
_chemical_formula_sum   'Fe3 Ge1'
_cell_volume   48.52
_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  0.64  0.0  0.38  1.0
  Fe  Fe1  1  0.0  0.0  0.56  1.0
  Fe  Fe2  1  0.0  0.98  0.4  1.0
  Ge  Ge3  1  0.64  0.98  0.59  1.0

data_Fe3Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.72
_cell_length_c   3.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Ge
_chemical_formula_sum   'Fe3 Ge1'
_cell_volume   48.52
_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  0.44  0.0  1.0
  Fe  Fe1  1  0.0  0.6  0.02  1.0
  Fe  Fe2  1  0.36  0.62  0.0  1.0
  Ge  Ge3  1  0.36  0.41  0.02  1.0

Fe Fe Fe Ge