data_[Sc12Sb4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.7782]
_cell_length_b [4.7782]
_cell_length_c [22.0691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Sc3SbC]
_chemical_formula_sum '[Sc12 Sb4 C4]'
_cell_volume [503.8579]
_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  0.0000  0.2328  0.1217  1
  Sc  Sc1  4  0.0000  0.0000  0.3149  1
  Sb  Sb2  2  0.0000  0.0000  0.0000  1
  Sb  Sb3  2  0.0000  0.5000  0.2500  1
  C  C4  4  0.0000  0.5000  0.6441  1
]