data_AgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   2.82
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   108.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPt
_chemical_formula_sum   'Ag6 Pt6'
_cell_volume   199.33
_cell_formula_units_Z   6
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
  Ag  Ag0  1  0.16  0.12  0.52  1.0
  Ag  Ag1  1  0.57  0.71  0.8  1.0
  Ag  Ag2  1  0.42  0.12  0.16  1.0
  Ag  Ag3  1  0.43  0.71  0.07  1.0
  Ag  Ag4  1  0.28  0.12  0.43  1.0
  Ag  Ag5  1  0.69  0.71  0.71  1.0
  Pt  Pt6  1  0.8  0.71  0.46  1.0
  Pt  Pt7  1  0.06  0.12  0.77  1.0
  Pt  Pt8  1  0.11  0.12  0.95  1.0
  Pt  Pt9  1  0.45  0.71  0.34  1.0
  Pt  Pt10  1  0.4  0.12  0.88  1.0
  Pt  Pt11  1  0.75  0.71  0.27  1.0

data_AgPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.82
_cell_length_b   8.59
_cell_length_c   8.67
_cell_angle_alpha   108.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgPt
_chemical_formula_sum   'Ag6 Pt6'
_cell_volume   199.33
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ag  Ag0  2  0.21  0.24  0.9  1.0
  Ag  Ag1  2  0.21  0.36  0.82  1.0
  Ag  Ag2  2  0.21  0.5  0.54  1.0
  Pt  Pt3  2  0.21  0.13  0.16  1.0
  Pt  Pt4  2  0.21  0.18  0.34  1.0
  Pt  Pt5  2  0.21  0.48  0.27  1.0

Ag Ag Ag Ag Ag Ag Pt Pt Pt Pt Pt Pt
Ag Ag Ag Ag Ag Ag Pt Pt Pt Pt Pt Pt 0 4 o o o 1 5 o o o 1 10 o + o 1 10 o o o 2 3 o - o 2 9 o o o 2 9 o - o 2 10 o o - 3 9 o o o 3 10 o + - 3 10 o o - 4 9 o o o 4 9 o - o 6 11 o o o 7 8 o o o 