data_[Fe24Co40Ge96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [13.8946]
_cell_length_b [13.8946]
_cell_length_c [13.8946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Fe3Co5Ge12]
_chemical_formula_sum '[Fe24 Co40 Ge96]'
_cell_volume [2682.4934]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.1250  1
  Co  Co1  24  0.0000  0.2500  0.3750  1
  Co  Co2  16  0.0000  0.0000  0.0000  1
  Ge  Ge3  96  0.0185  0.0771  0.6505  1
]