data_Zn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   7.29
_cell_angle_alpha   118.78
_cell_angle_beta   118.78
_cell_angle_gamma   33.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Br
_chemical_formula_sum   'Zn4 Br2'
_cell_volume   130.64
_cell_formula_units_Z   2
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
  Zn  Zn2  1  0.36  0.0  0.07  1.0
  Zn  Zn3  1  0.75  0.0  0.09  1.0
  Zn  Zn4  1  0.69  0.0  0.23  1.0
  Zn  Zn5  1  0.3  0.0  0.2  1.0
  Br  Br0  1  0.55  0.0  0.83  1.0
  Br  Br1  1  0.5  0.0  0.47  1.0

data_Zn2Br
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.54
_cell_length_b   6.12
_cell_length_c   6.9
_cell_angle_alpha   67.77
_cell_angle_beta   75.14
_cell_angle_gamma   73.19
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zn2Br
_chemical_formula_sum   'Zn4 Br2'
_cell_volume   130.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Zn  Zn0  2  0.0  0.09  0.08  1.0
  Zn  Zn1  2  0.0  0.28  0.95  1.0
  Br  Br2  2  0.0  0.34  0.68  1.0

Zn Zn Zn Zn Br Br
Zn Zn Zn Zn Br Br 0 3 o o o 1 2 o o o 1 4 o o - 3 5 o o o 