data_[Sc12Co4Ge12]
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 [C2/m]
_cell_length_a [10.0927]
_cell_length_b [4.0226]
_cell_length_c [13.0604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3CoGe3]
_chemical_formula_sum '[Sc12 Co4 Ge12]'
_cell_volume [497.4593]
_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  0.0286  0.5000  0.3825  1
  Sc  Sc1  4  0.0964  0.5000  0.9190  1
  Sc  Sc2  4  0.2395  0.5000  0.2279  1
  Co  Co3  4  0.2415  0.0000  0.4128  1
  Ge  Ge4  4  0.0369  0.0000  0.2414  1
  Ge  Ge5  4  0.1290  0.0000  0.0752  1
  Ge  Ge6  4  0.1364  0.0000  0.5511  1
]