data_SrAu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   143.56
_cell_angle_beta   141.66
_cell_angle_gamma   53.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAu2Br
_chemical_formula_sum   'Sr1 Au2 Br1'
_cell_volume   102.37
_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
  Sr  Sr3  1  0.0  0.0  0.83  1.0
  Au  Au0  1  0.0  0.15  0.9  1.0
  Au  Au1  1  0.04  0.0  0.93  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_SrAu2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.3
_cell_length_c   6.54
_cell_angle_alpha   109.17
_cell_angle_beta   108.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAu2Br
_chemical_formula_sum   'Sr1 Au2 Br1'
_cell_volume   102.37
_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
  Sr  Sr0  1  0.17  0.17  0.17  1.0
  Au  Au1  1  0.1  0.25  0.25  1.0
  Au  Au2  1  0.11  0.07  0.11  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Au Au Br