data_LiTiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   5.34
_cell_angle_alpha   96.8
_cell_angle_beta   96.8
_cell_angle_gamma   33.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiAg2
_chemical_formula_sum   'Li1 Ti1 Ag2'
_cell_volume   67.63
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.27  0.0  0.65  1.0
  Ag  Ag0  1  0.71  0.0  0.29  1.0
  Ag  Ag1  1  0.83  0.0  0.01  1.0

data_LiTiAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.81
_cell_length_c   5.34
_cell_angle_alpha   96.8
_cell_angle_beta   90.0
_cell_angle_gamma   106.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiAg2
_chemical_formula_sum   'Li1 Ti1 Ag2'
_cell_volume   67.63
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.73  0.35  1.0
  Ag  Ag2  1  0.0  0.17  0.99  1.0
  Ag  Ag3  1  0.0  0.29  0.71  1.0

Li Ti Ag Ag
Li Ti Ag Ag 0 3 - o o 0 1 o o - 1 2 - o o 1 2 o o o 1 1 + - o 1 3 - o + 1 3 o o + 2 3 o o o 