data_[Sc2Co8Ge12]
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 [I-42m]
_cell_length_a [6.2142]
_cell_length_b [6.2142]
_cell_length_c [8.6183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Sc(Co2Ge3)2]
_chemical_formula_sum '[Sc2 Co8 Ge12]'
_cell_volume [332.8035]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.5000  1.0
  Co  Co1  8  0.1808  0.1808  0.0790  1.0
  Ge  Ge2  8  0.1700  0.1700  0.7964  1.0
  Ge  Ge3  4  0.0000  0.5000  0.0000  1.0
]