data_Ti4Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   157.58
_cell_angle_beta   150.71
_cell_angle_gamma   37.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Ag
_chemical_formula_sum   'Ti4 Ag1'
_cell_volume   86.57
_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  Ti1  1  0.0  0.0  0.83  1.0
  Ti  Ti2  1  0.0  0.0  0.66  1.0
  Ti  Ti3  1  0.0  0.0  0.03  1.0
  Ti  Ti4  1  0.0  0.0  0.85  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_Ti4Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.92
_cell_length_c   7.75
_cell_angle_alpha   104.64
_cell_angle_beta   101.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Ag
_chemical_formula_sum   'Ti4 Ag1'
_cell_volume   86.57
_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  0.15  0.15  0.15  1.0
  Ti  Ti1  1  0.17  0.17  0.17  1.0
  Ti  Ti2  1  0.34  0.34  0.34  1.0
  Ti  Ti3  1  0.97  0.97  0.97  1.0
  Ag  Ag4  1  0.0  0.0  0.0  1.0

Ti Ti Ti Ti Ag