data_[Sc12Si8Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.9580]
_cell_length_b [3.9005]
_cell_length_c [10.5997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sc3Si2Ge]
_chemical_formula_sum '[Sc12 Si8 Ge4]'
_cell_volume [453.0546]
_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  4  0.0483  0.2500  0.3815  1
  Sc  Sc1  4  0.1205  0.7500  0.9368  1
  Sc  Sc2  4  0.2098  0.2500  0.7022  1
  Si  Si3  4  0.0099  0.7500  0.1971  1
  Si  Si4  4  0.1884  0.7500  0.4875  1
  Ge  Ge5  4  0.1322  0.2500  0.1282  1
]