data_[Sc4Al2Ru10C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.3867]
_cell_length_b [9.3867]
_cell_length_c [2.9619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc2AlRu5C2]
_chemical_formula_sum '[Sc4 Al2 Ru10 C4]'
_cell_volume [260.9748]
_cell_formula_units_Z [2]
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  0.1776  0.6776  0.0000  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru2  8  0.0704  0.2199  0.5000  1.0
  Ru  Ru3  2  0.0000  0.5000  0.5000  1.0
  C  C4  4  0.1248  0.3752  0.0000  1.0
]