data_AlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPt
_chemical_formula_sum   'Al3 Pt3'
_cell_volume   106.07
_cell_formula_units_Z   3
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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.12  0.1  1.0
  Al  Al2  1  0.7  0.56  0.1  1.0
  Pt  Pt3  1  0.35  0.34  0.0  1.0
  Pt  Pt4  1  0.7  0.0  0.0  1.0
  Pt  Pt5  1  0.65  0.34  0.0  1.0

data_AlPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPt
_chemical_formula_sum   'Al3 Pt3'
_cell_volume   106.07
_cell_formula_units_Z   3
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  0.0  0.0  0.0  1.0
  Al  Al1  1  0.1  -0.0  0.12  1.0
  Al  Al2  1  0.1  0.7  0.56  1.0
  Pt  Pt3  1  0.0  0.35  0.34  1.0
  Pt  Pt4  1  0.0  0.65  0.34  1.0
  Pt  Pt5  1  0.0  0.7  0.0  1.0

Al Al Al Pt Pt Pt
Al Al Al Pt Pt Pt 0 1 o o o 0 3 o o o 0 4 - o o 1 3 o o o 1 4 - o o 2 5 o o o 2 3 o o o 3 5 o o o 