data_[Sc12Au4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.4167]
_cell_length_b [8.8518]
_cell_length_c [6.3783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Sc3AuC]
_chemical_formula_sum '[Sc12 Au4 C4]'
_cell_volume [362.2833]
_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  8  0.2500  0.0395  0.2500  1.0
  Sc  Sc1  4  0.0000  0.2500  0.5753  1.0
  Au  Au2  4  0.0000  0.2500  0.0090  1.0
  C  C3  4  0.0000  0.0000  0.5000  1.0
]