data_[Sc16Nb8Co12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5103]
_cell_length_b [5.5168]
_cell_length_c [13.3619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4Nb2(CoC)3]
_chemical_formula_sum '[Sc16 Nb8 Co12 C12]'
_cell_volume [682.7961]
_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  0.1149  0.0767  0.5976  1
  Sc  Sc1  8  0.2156  0.0858  0.9023  1
  Nb  Nb2  8  0.0555  0.4141  0.4027  1
  Co  Co3  8  0.2478  0.1710  0.2504  1
  Co  Co4  4  0.0000  0.0909  0.7500  1
  C  C5  8  0.0754  0.2741  0.0003  1
  C  C6  4  0.2500  0.2500  0.5000  1
]