data_[Sc8Ta16Si12C12]
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
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5090]
_cell_length_b [5.4885]
_cell_length_c [13.5969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2Ta4(SiC)3]
_chemical_formula_sum '[Sc8 Ta16 Si12 C12]'
_cell_volume [689.4769]
_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  0.0458  0.4186  0.3956  1
  Ta  Ta1  8  0.1134  0.0897  0.5894  1
  Ta  Ta2  8  0.2232  0.9193  0.4105  1
  Si  Si3  8  0.1899  0.6063  0.2510  1
  Si  Si4  4  0.0000  0.0244  0.2500  1
  C  C5  8  0.0846  0.2466  0.0002  1
  C  C6  4  0.2500  0.2500  0.5000  1
]