data_SbAu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.94
_cell_angle_alpha   97.64
_cell_angle_beta   97.64
_cell_angle_gamma   111.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAu2Br
_chemical_formula_sum   'Sb1 Au2 Br1'
_cell_volume   92.86
_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
  Sb  Sb3  1  0.86  0.0  0.0  1.0
  Au  Au0  1  0.96  0.88  0.91  1.0
  Au  Au1  1  0.96  0.12  0.91  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_SbAu2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   111.98
_cell_angle_beta   97.64
_cell_angle_gamma   97.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAu2Br
_chemical_formula_sum   'Sb1 Au2 Br1'
_cell_volume   92.86
_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
  Sb  Sb0  1  0.0  0.86  0.0  1.0
  Au  Au1  1  0.91  0.96  0.12  1.0
  Au  Au2  1  0.91  0.96  0.88  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sb Au Au Br