data_[Sc4Co1Si1C2]
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
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.2735]
_cell_length_b [3.2735]
_cell_length_c [13.4984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Sc4CoSiC2]
_chemical_formula_sum '[Sc4 Co1 Si1 C2]'
_cell_volume [125.2670]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.3331  1
  Sc  Sc1  2  0.6667  0.3333  0.1479  1
  Co  Co2  1  0.0000  0.0000  0.0000  1
  Si  Si3  1  0.6667  0.3333  0.5000  1
  C  C4  2  0.3333  0.6667  0.2415  1
]