data_[Sc8Ru4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8565]
_cell_length_b [3.1894]
_cell_length_c [5.5669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2RuC]
_chemical_formula_sum '[Sc8 Ru4 C4]'
_cell_volume [243.9322]
_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  4  0.0924  0.5000  0.8623  1
  Sc  Sc1  4  0.0975  0.0000  0.3660  1
  Ru  Ru2  4  0.2493  0.0000  0.7856  1
  C  C3  2  0.0000  0.0000  0.0000  1
  C  C4  2  0.0000  0.5000  0.5000  1
]