data_[Sc4In3Au1]
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 [P4/mmm]
_cell_length_a [3.3434]
_cell_length_b [3.3434]
_cell_length_c [15.7047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sc4In3Au]
_chemical_formula_sum '[Sc4 In3 Au1]'
_cell_volume [175.5550]
_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  0.1092  1
  Sc  Sc1  2  0.0000  0.0000  0.3696  1
  In  In2  2  0.5000  0.5000  0.2394  1
  In  In3  1  0.5000  0.5000  0.5000  1
  Au  Au4  1  0.5000  0.5000  0.0000  1
]