data_[Sc8Co20Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.1965]
_cell_length_b [8.8656]
_cell_length_c [14.1737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sc2Co5Ge4]
_chemical_formula_sum '[Sc8 Co20 Ge16]'
_cell_volume [652.9858]
_cell_formula_units_Z [4]
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
[
  Sc  Sc0  8  0.0000  0.0000  0.1171  1
  Co  Co1  8  0.2500  0.2500  0.0000  1
  Co  Co2  8  0.2500  0.2500  0.2500  1
  Co  Co3  4  0.0000  0.0000  0.5000  1
  Ge  Ge4  16  0.0000  0.1576  0.3694  1
]