data_AgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBr2
_chemical_formula_sum   'Ag2 Br4'
_cell_volume   131.94
_cell_formula_units_Z   2
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
  Ag  Ag0  1  0.66  0.01  0.16  1.0
  Ag  Ag1  1  0.66  0.99  0.39  1.0
  Br  Br2  1  0.66  0.44  0.16  1.0
  Br  Br3  1  0.66  0.86  0.16  1.0
  Br  Br4  1  0.66  0.14  0.39  1.0
  Br  Br5  1  0.66  0.56  0.39  1.0

data_AgBr2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.33
_cell_length_b   5.54
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   103.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AgBr2
_chemical_formula_sum   'Ag2 Br4'
_cell_volume   131.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ag  Ag0  2  0.01  0.61  0.01  1.0
  Br  Br1  2  0.14  0.39  0.14  1.0
  Br  Br2  2  0.44  0.61  0.44  1.0

Ag Ag Br Br Br Br
Ag Ag Br Br Br Br 0 3 o - o 0 1 o - o 1 4 o + o 2 5 o o o 