data_[Ti8Al4In4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [10.7575]
_cell_length_b [4.3867]
_cell_length_c [10.7774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ti2AlInAu2]
_chemical_formula_sum '[Ti8 Al4 In4 Au8]'
_cell_volume [479.5789]
_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
[
  Ti  Ti0  1  0.0002  0.0000  0.2526  1
  Ti  Ti1  1  0.1258  0.5000  0.6205  1
  Ti  Ti2  1  0.2505  0.0000  0.0027  1
  Ti  Ti3  1  0.3731  0.5000  0.3731  1
  Ti  Ti4  1  0.5044  0.0000  0.7508  1
  Ti  Ti5  1  0.6207  0.5000  0.1242  1
  Ti  Ti6  1  0.7458  0.0000  0.4960  1
  Ti  Ti7  1  0.8800  0.5000  0.8813  1
  Al  Al8  1  0.1255  0.5000  0.1275  1
  Al  Al9  1  0.2497  0.0000  0.4959  1
  Al  Al10  1  0.4960  0.0000  0.2480  1
  Al  Al11  1  0.7530  0.0000  0.0025  1
  In  In12  1  0.0034  0.0000  0.7553  1
  In  In13  1  0.3763  0.5000  0.8761  1
  In  In14  1  0.6228  0.5000  0.6261  1
  In  In15  1  0.8738  0.5000  0.3712  1
  Au  Au16  1  0.0030  0.0000  0.0124  1
  Au  Au17  1  0.1317  0.5000  0.3741  1
  Au  Au18  1  0.2521  0.0000  0.7379  1
  Au  Au19  1  0.3721  0.5000  0.1313  1
  Au  Au20  1  0.4910  0.0000  0.4904  1
  Au  Au21  1  0.6367  0.5000  0.8856  1
  Au  Au22  1  0.7379  0.0000  0.2402  1
  Au  Au23  1  0.8746  0.5000  0.6244  1
]