data_AgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.79
_cell_length_b   11.79
_cell_length_c   11.79
_cell_angle_alpha   161.88
_cell_angle_beta   161.88
_cell_angle_gamma   25.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBr2
_chemical_formula_sum   'Ag2 Br4'
_cell_volume   158.52
_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  0.0  0.86  0.75  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.86  0.0  0.29  1.0
  Br  Br3  1  0.0  0.0  0.96  1.0
  Br  Br4  1  0.86  0.0  0.21  1.0
  Br  Br5  1  0.0  0.0  0.04  1.0

data_AgBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   11.79
_cell_angle_alpha   99.06
_cell_angle_beta   99.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBr2
_chemical_formula_sum   'Ag2 Br4'
_cell_volume   158.52
_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  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.11  0.86  0.11  1.0
  Br  Br2  1  0.04  0.0  0.04  1.0
  Br  Br3  1  0.71  0.0  0.57  1.0
  Br  Br4  1  0.79  0.0  0.65  1.0
  Br  Br5  1  0.96  0.0  0.96  1.0

Ag Ag Br Br Br Br