data_[Sc6Ta2Nb4C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5539]
_cell_length_b [9.6104]
_cell_length_c [5.6409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3Ta(NbC3)2]
_chemical_formula_sum '[Sc6 Ta2 Nb4 C12]'
_cell_volume [284.5089]
_cell_formula_units_Z [2]
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  0.0000  0.1671  0.5000  1.0
  Sc  Sc1  2  0.0000  0.5000  0.5000  1.0
  Ta  Ta2  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb3  4  0.0000  0.3334  0.0000  1.0
  C  C4  8  0.2446  0.1658  0.2367  1.0
  C  C5  4  0.2473  0.5000  0.2365  1.0
]