data_ReSi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.53
_cell_angle_alpha   104.36
_cell_angle_beta   104.36
_cell_angle_gamma   41.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Au
_chemical_formula_sum   'Re1 Si2 Au1'
_cell_volume   60.5
_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  Re1  1  0.22  0.0  0.74  1.0
  Si  Si2  1  0.31  0.0  0.02  1.0
  Si  Si3  1  0.05  0.0  0.17  1.0
  Au  Au0  1  0.72  0.0  0.99  1.0

data_ReSi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.53
_cell_length_c   4.56
_cell_angle_alpha   104.36
_cell_angle_beta   110.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Au
_chemical_formula_sum   'Re1 Si2 Au1'
_cell_volume   60.5
_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
  Si  Si0  1  0.0  0.02  0.31  1.0
  Si  Si1  1  0.0  0.17  0.05  1.0
  Re  Re2  1  0.0  0.74  0.22  1.0
  Au  Au3  1  0.0  0.99  0.72  1.0

Re Si Si Au
Re Si Si Au 0 1 o o + 1 2 o o o 2 3 - o - 