data_Na2AgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   6.09
_cell_length_c   4.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AgBr
_chemical_formula_sum   'Na2 Ag1 Br1'
_cell_volume   114.17
_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  0.96  1.0
  Na  Na3  1  0.29  0.05  0.1  1.0
  Ag  Ag0  1  0.29  0.0  0.89  1.0
  Br  Br1  1  0.0  0.05  0.28  1.0

data_Na2AgBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.58
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AgBr
_chemical_formula_sum   'Na2 Ag1 Br1'
_cell_volume   114.17
_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  0.1  0.29  0.05  1.0
  Na  Na1  1  0.96  0.0  0.0  1.0
  Ag  Ag2  1  0.89  0.29  0.0  1.0
  Br  Br3  1  0.28  0.0  0.05  1.0

Na Na Ag Br
Na Na Ag Br 0 2 o o o 0 3 o o + 0 1 o o + 1 2 o o - 1 3 o o o 