data_ReMoAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.88
_cell_angle_alpha   99.24
_cell_angle_beta   99.24
_cell_angle_gamma   32.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMoAu2
_chemical_formula_sum   'Re1 Mo1 Au2'
_cell_volume   65.66
_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  Re3  1  0.46  0.0  0.4  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.1  0.0  0.2  1.0
  Au  Au1  1  0.82  0.0  0.61  1.0

data_ReMoAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.88
_cell_length_c   5.06
_cell_angle_alpha   99.24
_cell_angle_beta   106.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMoAu2
_chemical_formula_sum   'Re1 Mo1 Au2'
_cell_volume   65.66
_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  0.4  0.46  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.2  0.1  1.0
  Au  Au3  1  0.0  0.61  0.82  1.0

Re Mo Au Au
Re Mo Au Au 0 2 o o o 0 3 o o o 1 2 o o o 1 3 - o - 