data_Ag2BiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   8.26
_cell_length_c   8.26
_cell_angle_alpha   26.66
_cell_angle_beta   26.66
_cell_angle_gamma   26.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2BiBr
_chemical_formula_sum   'Ag2 Bi1 Br1'
_cell_volume   100.2
_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  0.0  0.02  1.0
  Ag  Ag1  1  0.0  0.0  0.88  1.0
  Bi  Bi2  1  0.0  0.0  0.95  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

data_Ag2BiBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.6
_cell_length_b   3.81
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2BiBr
_chemical_formula_sum   'Ag4 Bi2 Br2'
_cell_volume   200.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.12  1.0
  Ag  Ag1  2  0.0  0.0  0.98  1.0
  Bi  Bi2  2  0.0  0.0  0.05  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Ag Ag Bi Br
Ag Ag Bi Br 0 3 o o o 1 2 o o o 2 3 o o + 