data_TiAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   4.82
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   95.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg3
_chemical_formula_sum   'Ti1 Ag3'
_cell_volume   70.17
_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  Ti3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.87  0.41  0.31  1.0
  Ag  Ag1  1  0.44  0.41  0.95  1.0
  Ag  Ag2  1  0.15  0.0  0.63  1.0

data_TiAg3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.82
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   95.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg3
_chemical_formula_sum   'Ti1 Ag3'
_cell_volume   70.17
_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
  Ag  Ag1  1  0.15  0.0  0.63  1.0
  Ag  Ag2  1  0.44  0.41  0.95  1.0
  Ag  Ag3  1  0.87  0.41  0.31  1.0

Ti Ag Ag Ag