data_Re2BAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   145.48
_cell_angle_beta   124.94
_cell_angle_gamma   66.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2BAu
_chemical_formula_sum   'Re2 B1 Au1'
_cell_volume   54.47
_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  0.0  0.27  0.52  1.0
  Re  Re3  1  0.46  0.0  0.59  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.11  1.0

data_Re2BAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.54
_cell_length_c   4.92
_cell_angle_alpha   117.53
_cell_angle_beta   107.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2BAu
_chemical_formula_sum   'Re2 B1 Au1'
_cell_volume   54.47
_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  0.0  0.59  0.13  1.0
  Re  Re1  1  0.73  0.25  0.25  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.11  0.11  1.0

Re Re B Au
Re Re B Au 0 3 o o o 0 1 o o o 1 3 o o o 1 3 + o + 1 2 o o o 1 2 + o + 2 3 o o o 