data_NaAg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   3.93
_cell_angle_alpha   97.47
_cell_angle_beta   97.47
_cell_angle_gamma   32.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAg2Br
_chemical_formula_sum   'Na1 Ag2 Br1'
_cell_volume   100.95
_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  Na3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.5  0.0  0.0  1.0
  Ag  Ag1  1  0.25  0.0  0.89  1.0
  Br  Br2  1  0.38  0.0  0.95  1.0

data_NaAg2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.93
_cell_length_c   6.92
_cell_angle_alpha   97.47
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAg2Br
_chemical_formula_sum   'Na1 Ag2 Br1'
_cell_volume   100.95
_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
  Ag  Ag1  1  0.0  0.0  0.5  1.0
  Ag  Ag2  1  0.0  0.89  0.25  1.0
  Br  Br3  1  0.0  0.95  0.38  1.0

Na Ag Ag Br