data_TlAg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAg2Cl
_chemical_formula_sum   'Tl1 Ag2 Cl1'
_cell_volume   88.91
_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
  Tl  Tl3  1  0.02  0.0  0.0  1.0
  Ag  Ag0  1  0.51  0.8  0.67  1.0
  Ag  Ag1  1  0.51  0.2  0.67  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_TlAg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   110.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAg2Cl
_chemical_formula_sum   'Tl1 Ag2 Cl1'
_cell_volume   88.91
_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
  Tl  Tl0  1  0.0  0.02  0.0  1.0
  Ag  Ag1  1  0.67  0.51  0.2  1.0
  Ag  Ag2  1  0.67  0.51  0.8  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Tl Ag Ag Cl