data_Ti7Ag6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.06
_cell_length_b   10.06
_cell_length_c   10.06
_cell_angle_alpha   30.02
_cell_angle_beta   30.02
_cell_angle_gamma   30.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti7Ag6
_chemical_formula_sum   'Ti7 Ag6'
_cell_volume   225.94
_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  Ti6  1  0.3  0.25  0.43  1.0
  Ti  Ti7  1  0.7  0.25  0.43  1.0
  Ti  Ti8  1  0.0  0.5  0.43  1.0
  Ti  Ti9  1  0.7  0.75  0.38  1.0
  Ti  Ti10  1  0.0  0.5  0.38  1.0
  Ti  Ti11  1  0.3  0.75  0.38  1.0
  Ti  Ti12  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.08  1.0
  Ag  Ag1  1  0.0  0.0  0.73  1.0
  Ag  Ag2  1  0.0  0.0  0.06  1.0
  Ag  Ag3  1  0.0  0.0  0.75  1.0
  Ag  Ag4  1  0.0  0.0  0.81  1.0
  Ag  Ag5  1  0.0  0.0  1.0  1.0

data_Ti7Ag6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   10.06
_cell_angle_alpha   74.99
_cell_angle_beta   74.99
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti7Ag6
_chemical_formula_sum   'Ti7 Ag6'
_cell_volume   225.94
_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  Ti0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.25  0.62  0.43  1.0
  Ti  Ti2  1  0.25  0.62  0.83  1.0
  Ti  Ti3  1  0.5  0.62  0.88  1.0
  Ti  Ti4  1  0.5  0.57  0.93  1.0
  Ti  Ti5  1  0.75  0.57  0.38  1.0
  Ti  Ti6  1  0.75  0.57  0.98  1.0
  Ag  Ag7  1  0.0  0.0  1.0  1.0
  Ag  Ag8  1  0.0  0.19  0.81  1.0
  Ag  Ag9  1  0.0  0.25  0.75  1.0
  Ag  Ag10  1  0.0  0.27  0.73  1.0
  Ag  Ag11  1  0.0  0.92  0.08  1.0
  Ag  Ag12  1  0.0  0.94  0.06  1.0

Ti Ti Ti Ti Ti Ti Ti Ag Ag Ag Ag Ag Ag 0 2 o o o 0 4 o o o 1 5 o o o 1 5 + - o 2 4 o o o 2 3 - o o 3 4 + o o 6 12 o o - 7 9 o o o 8 10 o o o 8 11 o o o 10 11 o o o 