data_AlPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPt4
_chemical_formula_sum   'Al4 Pt16'
_cell_volume   341.59
_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
  Al  Al0  1  0.36  0.36  0.36  1.0
  Al  Al1  1  0.95  0.05  0.05  1.0
  Al  Al2  1  0.05  0.95  0.05  1.0
  Al  Al3  1  0.05  0.05  0.95  1.0
  Pt  Pt4  1  0.76  0.76  0.76  1.0
  Pt  Pt5  1  0.35  0.65  0.65  1.0
  Pt  Pt6  1  0.65  0.35  0.65  1.0
  Pt  Pt7  1  0.65  0.65  0.35  1.0
  Pt  Pt8  1  0.0  0.0  0.93  1.0
  Pt  Pt9  1  0.0  0.0  0.87  1.0
  Pt  Pt10  1  0.0  0.93  0.0  1.0
  Pt  Pt11  1  0.0  0.87  0.0  1.0
  Pt  Pt12  1  0.93  0.0  0.0  1.0
  Pt  Pt13  1  0.87  0.0  0.0  1.0
  Pt  Pt14  1  0.4  0.0  0.2  1.0
  Pt  Pt15  1  0.0  0.4  0.2  1.0
  Pt  Pt16  1  0.0  0.2  0.4  1.0
  Pt  Pt17  1  0.4  0.2  0.0  1.0
  Pt  Pt18  1  0.2  0.4  0.0  1.0
  Pt  Pt19  1  0.2  0.0  0.4  1.0

data_AlPt4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.46
_cell_length_b   12.46
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlPt4
_chemical_formula_sum   'Al12 Pt48'
_cell_volume   1024.77
_cell_formula_units_Z   12
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
  Al  Al0  9  0.03  0.06  0.02  1.0
  Al  Al1  3  0.0  0.0  0.36  1.0
  Pt  Pt2  18  0.0  0.2  0.2  1.0
  Pt  Pt3  9  0.02  0.04  0.98  1.0
  Pt  Pt4  9  0.04  0.08  0.96  1.0
  Pt  Pt5  9  0.1  0.9  0.55  1.0
  Pt  Pt6  3  0.0  0.0  0.76  1.0

Al Al Al Al Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt