data_TiIn2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Ag
_chemical_formula_sum   'Ti1 In2 Ag1'
_cell_volume   80.67
_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
  In  In1  1  0.59  0.91  0.52  1.0
  In  In2  1  0.59  0.09  0.52  1.0
  Ag  Ag0  1  0.18  0.0  0.0  1.0

data_TiIn2Ag
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.25
_cell_length_b   3.03
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   105.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TiIn2Ag
_chemical_formula_sum   'Ti1 In2 Ag1'
_cell_volume   80.67
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.59  0.5  0.09  1.0
  In  In2  1  0.59  0.5  0.91  1.0
  Ag  Ag3  1  0.18  0.0  0.0  1.0

Ti In In Ag
Ti In In Ag 0 3 o o o 1 2 o + o 