data_Re2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   127.79
_cell_angle_beta   127.79
_cell_angle_gamma   76.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AuBr
_chemical_formula_sum   'Re2 Au1 Br1'
_cell_volume   67.31
_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
  Re  Re2  1  0.11  0.0  0.88  1.0
  Re  Re3  1  0.0  0.0  0.76  1.0
  Au  Au0  1  0.0  0.11  0.88  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_Re2AuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   4.81
_cell_angle_alpha   116.1
_cell_angle_beta   116.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2AuBr
_chemical_formula_sum   'Re2 Au1 Br1'
_cell_volume   67.31
_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
  Re  Re0  1  0.12  0.0  0.23  1.0
  Re  Re1  1  0.24  0.0  0.24  1.0
  Au  Au2  1  0.23  0.11  0.23  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Re Re Au Br