data_[Sc18Sn3C9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.0514]
_cell_length_b [6.0514]
_cell_length_c [16.5009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Sc6SnC3]
_chemical_formula_sum '[Sc18 Sn3 C9]'
_cell_volume [523.3034]
_cell_formula_units_Z [3]
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  9  0.0028  0.3421  0.5937  1
  Sc  Sc1  9  0.1353  0.7930  0.4212  1
  Sn  Sn2  3  0.0000  0.0000  0.1028  1
  C  C3  3  0.0000  0.0000  0.3315  1
  C  C4  3  0.0000  0.0000  0.6631  1
  C  C5  3  0.0000  0.0000  0.8579  1
]