data_[Sc4Fe1Au1C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Fe  1.8300  1.4000  0.8525
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3235]
_cell_length_b [3.3235]
_cell_length_c [13.5819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Sc4FeAuC2]
_chemical_formula_sum '[Sc4 Fe1 Au1 C2]'
_cell_volume [129.9219]
_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  0.1516  1
  Sc  Sc1  2  0.3333  0.6667  0.3333  1
  Fe  Fe2  1  0.3333  0.6667  0.0000  1
  Au  Au3  1  0.0000  0.0000  0.5000  1
  C  C4  2  0.6667  0.3333  0.2476  1
]