data_NaZnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   7.13
_cell_angle_alpha   106.79
_cell_angle_beta   106.79
_cell_angle_gamma   57.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnBr2
_chemical_formula_sum   'Na1 Zn1 Br2'
_cell_volume   106.98
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.62  0.0  0.37  1.0
  Br  Br0  1  0.07  0.0  0.72  1.0
  Br  Br1  1  0.17  0.0  0.01  1.0

data_NaZnBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.33
_cell_length_c   7.13
_cell_angle_alpha   106.79
_cell_angle_beta   90.0
_cell_angle_gamma   118.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnBr2
_chemical_formula_sum   'Na1 Zn1 Br2'
_cell_volume   106.98
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.38  0.63  1.0
  Br  Br2  1  0.0  0.83  0.99  1.0
  Br  Br3  1  0.0  0.93  0.28  1.0

Na Zn Br Br