data_[Sc4Si2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5156]
_cell_length_b [4.1054]
_cell_length_c [7.4194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc2SiAu]
_chemical_formula_sum '[Sc4 Si2 Au2]'
_cell_volume [157.8823]
_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  2  0.2026  0.7500  0.9268  1.0
  Sc  Sc1  2  0.2166  0.7500  0.4265  1.0
  Si  Si2  2  0.3371  0.2500  0.2088  1.0
  Au  Au3  2  0.3326  0.2500  0.7106  1.0
]