data_CdAg2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.68
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   91.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2Br
_chemical_formula_sum   'Cd1 Ag2 Br1'
_cell_volume   94.19
_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
  Cd  Cd3  1  0.49  0.84  0.78  1.0
  Ag  Ag0  1  0.53  0.0  0.02  1.0
  Ag  Ag1  1  0.76  0.84  0.42  1.0
  Br  Br2  1  0.71  0.0  0.58  1.0

data_CdAg2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.68
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   91.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAg2Br
_chemical_formula_sum   'Cd1 Ag2 Br1'
_cell_volume   94.19
_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
  Cd  Cd0  1  0.49  0.84  0.78  1.0
  Ag  Ag1  1  0.53  0.0  0.02  1.0
  Ag  Ag2  1  0.76  0.84  0.42  1.0
  Br  Br3  1  0.71  0.0  0.58  1.0

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