data_[Sc4Si4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8986]
_cell_length_b [3.4147]
_cell_length_c [4.1897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScSiC]
_chemical_formula_sum '[Sc4 Si4 C4]'
_cell_volume [161.4077]
_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  2  0.0114  0.5000  0.3324  1
  Sc  Sc1  2  0.2372  0.5000  0.0567  1
  Si  Si2  2  0.0174  0.0000  0.8348  1
  Si  Si3  2  0.3475  0.0000  0.6794  1
  C  C4  2  0.1344  0.0000  0.2656  1
  C  C5  2  0.1403  0.0000  0.6171  1
]