data_AgBBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.0
_cell_length_b   8.0
_cell_length_c   3.96
_cell_angle_alpha   97.83
_cell_angle_beta   97.83
_cell_angle_gamma   23.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBBr2
_chemical_formula_sum   'Ag1 B1 Br2'
_cell_volume   101.74
_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
  Ag  Ag0  1  0.52  0.0  0.39  1.0
  B  B1  1  0.51  0.0  0.9  1.0
  Br  Br2  1  0.69  0.0  0.89  1.0
  Br  Br3  1  0.03  0.0  0.63  1.0

data_AgBBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.96
_cell_length_c   8.0
_cell_angle_alpha   97.83
_cell_angle_beta   101.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBBr2
_chemical_formula_sum   'Ag1 B1 Br2'
_cell_volume   101.74
_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
  Ag  Ag0  1  0.0  0.39  0.52  1.0
  B  B1  1  0.0  0.9  0.51  1.0
  Br  Br2  1  0.0  0.63  0.03  1.0
  Br  Br3  1  0.0  0.89  0.69  1.0

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