data_[Sc8Ti16Zn12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3737]
_cell_length_b [5.4152]
_cell_length_c [14.0954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Ti4(ZnC)3]
_chemical_formula_sum '[Sc8 Ti16 Zn12 C12]'
_cell_volume [696.7108]
_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  0.0446  0.4191  0.8953  1
  Ti  Ti1  8  0.1100  0.0908  0.0792  1
  Ti  Ti2  8  0.2267  0.0802  0.4209  1
  Zn  Zn3  8  0.2422  0.3436  0.2498  1
  Zn  Zn4  4  0.0000  0.0721  0.2500  1
  C  C5  8  0.0855  0.2439  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]