data_[Sc18Ag6C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.3854]
_cell_length_b [6.3854]
_cell_length_c [15.6871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Sc3AgC]
_chemical_formula_sum '[Sc18 Ag6 C6]'
_cell_volume [553.9293]
_cell_formula_units_Z [6]
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  18  0.0000  0.4466  0.7500  1.0
  Ag  Ag1  6  0.0000  0.0000  0.2500  1.0
  C  C2  6  0.0000  0.0000  0.0000  1.0
]