data_CdAu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.67
_cell_angle_alpha   92.31
_cell_angle_beta   92.31
_cell_angle_gamma   53.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAu2Br
_chemical_formula_sum   'Cd1 Au2 Br1'
_cell_volume   112.08
_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  0.3  0.0  0.83  1.0
  Au  Au0  1  0.07  0.0  0.42  1.0
  Au  Au1  1  0.52  0.0  0.24  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_CdAu2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.96
_cell_length_c   5.67
_cell_angle_alpha   92.31
_cell_angle_beta   90.0
_cell_angle_gamma   116.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdAu2Br
_chemical_formula_sum   'Cd1 Au2 Br1'
_cell_volume   112.08
_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  0.0  0.7  0.17  1.0
  Au  Au1  1  0.0  0.48  0.76  1.0
  Au  Au2  1  0.0  0.93  0.58  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Cd Au Au Br