data_[Sc8Ge12Mo16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4801]
_cell_length_b [5.5020]
_cell_length_c [13.4107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Ge3Mo4C3]
_chemical_formula_sum '[Sc8 Ge12 Mo16 C12]'
_cell_volume [679.7776]
_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  0.0475  0.4181  0.8955  1
  Ge  Ge1  8  0.1905  0.3964  0.2494  1
  Ge  Ge2  4  0.0000  0.0322  0.7500  1
  Mo  Mo3  8  0.1095  0.0907  0.0823  1
  Mo  Mo4  8  0.2265  0.0790  0.4177  1
  C  C5  8  0.0845  0.2477  0.5003  1
  C  C6  4  0.2500  0.2500  0.0000  1
]