data_[Sc16V8Ni12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3233]
_cell_length_b [5.4031]
_cell_length_c [13.9687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc4V2(NiC)3]
_chemical_formula_sum '[Sc16 V8 Ni12 C12]'
_cell_volume [689.9965]
_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  0.1126  0.0716  0.0959  1
  Sc  Sc1  8  0.2153  0.0882  0.4039  1
  V  V2  8  0.0684  0.4106  0.9256  1
  Ni  Ni3  8  0.2438  0.3366  0.2495  1
  Ni  Ni4  4  0.0000  0.0713  0.2500  1
  C  C5  8  0.0742  0.2774  0.5002  1
  C  C6  4  0.2500  0.2500  0.0000  1
]