data_[Sc12In10Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5948]
_cell_length_b [13.7938]
_cell_length_c [8.3195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc6In5Au]
_chemical_formula_sum '[Sc12 In10 Au2]'
_cell_volume [527.2910]
_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  8  0.0000  0.1644  0.2459  1
  Sc  Sc1  4  0.0000  0.5000  0.2420  1
  In  In2  4  0.0000  0.3330  0.5000  1
  In  In3  4  0.0000  0.3339  0.0000  1
  In  In4  2  0.0000  0.0000  0.5000  1
  Au  Au5  2  0.0000  0.0000  0.0000  1
]