data_ZnBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   8.05
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBr3
_chemical_formula_sum   'Zn2 Br6'
_cell_volume   300.88
_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  Zn6  1  0.0  0.0  0.01  1.0
  Zn  Zn7  1  0.54  0.03  0.35  1.0
  Br  Br0  1  0.0  0.03  0.48  1.0
  Br  Br1  1  0.54  0.0  0.89  1.0
  Br  Br2  1  0.8  0.0  0.79  1.0
  Br  Br3  1  0.28  0.0  0.79  1.0
  Br  Br4  1  0.26  0.03  0.57  1.0
  Br  Br5  1  0.81  0.03  0.57  1.0

data_ZnBr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.07
_cell_length_b   7.36
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBr3
_chemical_formula_sum   'Zn2 Br6'
_cell_volume   300.88
_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  Zn0  1  0.0  0.99  0.0  1.0
  Zn  Zn1  1  0.46  0.65  0.97  1.0
  Br  Br2  1  0.0  0.52  0.97  1.0
  Br  Br3  1  0.19  0.43  0.97  1.0
  Br  Br4  1  0.2  0.21  0.0  1.0
  Br  Br5  1  0.46  0.11  0.0  1.0
  Br  Br6  1  0.72  0.21  0.0  1.0
  Br  Br7  1  0.74  0.43  0.97  1.0

Zn Zn Br Br Br Br Br Br