data_AlZnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnBr2
_chemical_formula_sum   'Al1 Zn1 Br2'
_cell_volume   105.23
_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
  Al  Al0  1  0.0  0.0  0.48  1.0
  Zn  Zn3  1  0.77  0.0  0.46  1.0
  Br  Br1  1  0.77  0.0  0.62  1.0
  Br  Br2  1  0.0  0.0  0.2  1.0

data_AlZnBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.69
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnBr2
_chemical_formula_sum   'Al1 Zn1 Br2'
_cell_volume   105.23
_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
  Al  Al0  1  0.0  0.0  0.48  1.0
  Zn  Zn1  1  0.0  0.77  0.46  1.0
  Br  Br2  1  0.0  0.0  0.2  1.0
  Br  Br3  1  0.0  0.77  0.62  1.0

Al Zn Br Br