data_TiZnCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17
_cell_length_b   7.15
_cell_length_c   2.97
_cell_angle_alpha   78.37
_cell_angle_beta   77.66
_cell_angle_gamma   23.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnCl
_chemical_formula_sum   'Ti1 Zn1 Cl1'
_cell_volume   60.53
_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  Ti1  1  0.07  0.14  0.02  1.0
  Zn  Zn2  1  0.07  0.14  0.99  1.0
  Cl  Cl0  1  0.07  0.14  0.68  1.0

data_TiZnCl
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.97
_cell_length_b   13.69
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   TiZnCl
_chemical_formula_sum   'Ti2 Zn2 Cl2'
_cell_volume   121.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.09  1.0
  Zn  Zn1  2  0.0  0.5  0.06  1.0
  Cl  Cl2  2  0.0  0.5  0.75  1.0

Ti Zn Cl