data_TiZnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   3.75
_cell_angle_alpha   107.63
_cell_angle_beta   107.63
_cell_angle_gamma   100.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnBr2
_chemical_formula_sum   'Ti1 Zn1 Br2'
_cell_volume   95.03
_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  Ti2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.46  0.0  0.0  1.0
  Br  Br0  1  0.84  0.07  0.65  1.0
  Br  Br1  1  0.84  0.93  0.65  1.0

data_TiZnBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   100.34
_cell_angle_beta   107.63
_cell_angle_gamma   107.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnBr2
_chemical_formula_sum   'Ti1 Zn1 Br2'
_cell_volume   95.03
_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
  Zn  Zn1  1  0.0  0.46  0.0  1.0
  Br  Br2  1  0.65  0.84  0.07  1.0
  Br  Br3  1  0.65  0.84  0.93  1.0

Ti Zn Br Br