data_Ag3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   3.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Br
_chemical_formula_sum   'Ag3 Br1'
_cell_volume   81.76
_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  0.61  0.66  0.92  1.0
  Ag  Ag1  1  0.61  0.34  0.92  1.0
  Ag  Ag2  1  0.21  0.0  0.0  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

data_Ag3Br
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.84
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ag3Br
_chemical_formula_sum   'Ag3 Br1'
_cell_volume   81.8
_cell_formula_units_Z   1
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  0.92  0.34  0.61  1.0
  Ag  Ag1  1  0.0  0.0  0.21  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

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