data_TiAg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.18
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   100.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2Cl
_chemical_formula_sum   'Ti1 Ag2 Cl1'
_cell_volume   82.56
_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  0.49  0.59  0.73  1.0
  Ag  Ag0  1  0.16  0.0  0.14  1.0
  Ag  Ag1  1  0.06  0.59  0.27  1.0
  Cl  Cl2  1  0.49  0.0  0.54  1.0

data_TiAg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.34
_cell_length_c   7.92
_cell_angle_alpha   100.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAg2Cl
_chemical_formula_sum   'Ti1 Ag2 Cl1'
_cell_volume   82.56
_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  0.41  0.51  0.27  1.0
  Ag  Ag1  1  0.0  0.84  0.86  1.0
  Ag  Ag2  1  0.41  0.94  0.73  1.0
  Cl  Cl3  1  0.0  0.51  0.46  1.0

Ti Ag Ag Cl