data_[Sc4Co4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [4.9324]
_cell_length_b [4.9396]
_cell_length_c [7.2734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [ScCoC2]
_chemical_formula_sum '[Sc4 Co4 C8]'
_cell_volume [175.0178]
_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  0.5000  0.4346  0.5031  1.0
  Co  Co1  4  0.4415  0.0649  0.8094  1.0
  C  C2  4  0.0173  0.4264  0.5685  1.0
  C  C3  4  0.1747  0.3109  0.7221  1.0
]