data_CdSbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25
_cell_length_b   7.9
_cell_length_c   3.57
_cell_angle_alpha   82.77
_cell_angle_beta   71.78
_cell_angle_gamma   25.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSbBr
_chemical_formula_sum   'Cd1 Sb1 Br1'
_cell_volume   87.84
_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  Cd1  1  0.88  0.04  0.11  1.0
  Sb  Sb2  1  0.88  0.04  0.75  1.0
  Br  Br0  1  0.88  0.04  0.49  1.0

data_CdSbBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.77
_cell_length_b   15.35
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   121.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSbBr
_chemical_formula_sum   'Cd2 Sb2 Br2'
_cell_volume   175.68
_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
  Cd  Cd0  2  0.11  0.0  0.99  1.0
  Sb  Sb1  2  0.25  0.5  0.64  1.0
  Br  Br2  2  0.49  0.0  0.37  1.0

Cd Sb Br
Cd Sb Br 0 1 o o - 0 2 o o o 1 2 o o o 