data_Ti24Au5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64
_cell_length_b   8.64
_cell_length_c   8.64
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti24Au5
_chemical_formula_sum   'Ti24 Au5'
_cell_volume   496.0
_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
  Ti  Ti5  1  0.94  0.06  0.76  1.0
  Ti  Ti6  1  0.06  0.94  0.76  1.0
  Ti  Ti7  1  0.94  0.94  0.21  1.0
  Ti  Ti8  1  0.04  0.04  0.22  1.0
  Ti  Ti9  1  0.94  0.21  0.94  1.0
  Ti  Ti10  1  0.04  0.22  0.04  1.0
  Ti  Ti11  1  0.06  0.76  0.94  1.0
  Ti  Ti12  1  0.94  0.76  0.06  1.0
  Ti  Ti13  1  0.76  0.06  0.94  1.0
  Ti  Ti14  1  0.76  0.94  0.06  1.0
  Ti  Ti15  1  0.22  0.04  0.04  1.0
  Ti  Ti16  1  0.21  0.94  0.94  1.0
  Ti  Ti17  1  0.67  0.33  0.43  1.0
  Ti  Ti18  1  0.33  0.67  0.43  1.0
  Ti  Ti19  1  0.66  0.66  0.55  1.0
  Ti  Ti20  1  0.33  0.33  0.54  1.0
  Ti  Ti21  1  0.66  0.55  0.66  1.0
  Ti  Ti22  1  0.33  0.54  0.33  1.0
  Ti  Ti23  1  0.33  0.43  0.67  1.0
  Ti  Ti24  1  0.67  0.43  0.33  1.0
  Ti  Ti25  1  0.43  0.33  0.67  1.0
  Ti  Ti26  1  0.43  0.67  0.33  1.0
  Ti  Ti27  1  0.54  0.33  0.33  1.0
  Ti  Ti28  1  0.55  0.66  0.66  1.0
  Au  Au0  1  0.12  0.88  0.12  1.0
  Au  Au1  1  0.88  0.12  0.12  1.0
  Au  Au2  1  0.12  0.12  0.88  1.0
  Au  Au3  1  0.87  0.87  0.87  1.0
  Au  Au4  1  0.0  0.0  0.0  1.0

data_Ti24Au5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.1
_cell_length_b   14.1
_cell_length_c   8.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ti24Au5
_chemical_formula_sum   'Ti72 Au15'
_cell_volume   1488.0
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  0.02  0.16  0.92  1.0
  Ti  Ti1  18  0.19  0.47  0.14  1.0
  Ti  Ti2  9  0.03  0.07  0.62  1.0
  Ti  Ti3  9  0.12  0.06  0.1  1.0
  Ti  Ti4  9  0.14  0.07  0.4  1.0
  Ti  Ti5  9  0.18  0.09  0.03  1.0
  Au  Au6  9  0.08  0.15  0.04  1.0
  Au  Au7  3  0.0  0.0  0.0  1.0
  Au  Au8  3  0.0  0.0  0.87  1.0

Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Ti Au Au Au Au Au