data_AlAg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   8.32
_cell_angle_alpha   23.77
_cell_angle_beta   23.77
_cell_angle_gamma   23.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2Br
_chemical_formula_sum   'Al1 Ag2 Br1'
_cell_volume   82.3
_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
  Al  Al2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.05  1.0
  Ag  Ag1  1  0.0  0.0  0.21  1.0
  Br  Br3  1  0.0  0.0  0.13  1.0

data_AlAg2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   3.43
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   103.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlAg2Br
_chemical_formula_sum   'Al2 Ag4 Br2'
_cell_volume   164.6
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  -0.0  0.0  0.79  1.0
  Ag  Ag2  2  -0.0  0.0  0.95  1.0
  Br  Br3  2  -0.0  0.0  0.87  1.0

Al Ag Ag Br
Al Ag Ag Br 0 1 o o o 1 3 o o o 2 3 o o o 