data_SiAg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.32
_cell_angle_alpha   94.36
_cell_angle_beta   94.36
_cell_angle_gamma   110.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2Br
_chemical_formula_sum   'Si1 Ag2 Br1'
_cell_volume   80.69
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.24  0.1  0.65  1.0
  Ag  Ag1  1  0.24  0.9  0.65  1.0
  Br  Br2  1  0.92  0.0  0.0  1.0

data_SiAg2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   110.26
_cell_angle_beta   94.36
_cell_angle_gamma   94.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2Br
_chemical_formula_sum   'Si1 Ag2 Br1'
_cell_volume   80.69
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.65  0.24  0.1  1.0
  Ag  Ag2  1  0.65  0.24  0.9  1.0
  Br  Br3  1  0.0  0.92  0.0  1.0

Si Ag Ag Br