data_NaZnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnBr2
_chemical_formula_sum   'Na1 Zn1 Br2'
_cell_volume   107.9
_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  0.86  1.0
  Zn  Zn3  1  0.67  0.0  0.01  1.0
  Br  Br0  1  0.0  0.0  0.88  1.0
  Br  Br1  1  0.67  0.0  0.12  1.0

data_NaZnBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnBr2
_chemical_formula_sum   'Na1 Zn1 Br2'
_cell_volume   107.9
_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  0.86  1.0
  Zn  Zn1  1  0.67  0.0  0.01  1.0
  Br  Br2  1  0.0  0.0  0.88  1.0
  Br  Br3  1  0.67  0.0  0.12  1.0

Na Zn Br Br
Na Zn Br Br 0 2 o o o 1 3 o o o 