data_ReSi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   28.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi5
_chemical_formula_sum   'Re1 Si5'
_cell_volume   84.98
_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  0.17  0.0  0.28  1.0
  Si  Si1  1  0.17  0.0  0.15  1.0
  Si  Si2  1  0.17  0.0  0.12  1.0
  Si  Si3  1  0.0  0.0  0.84  1.0
  Si  Si4  1  0.0  0.0  0.88  1.0
  Si  Si5  1  0.0  0.0  0.02  1.0

data_ReSi5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.34
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   104.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi5
_chemical_formula_sum   'Re1 Si5'
_cell_volume   84.98
_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  0.12  0.0  0.12  1.0
  Si  Si1  1  0.16  0.0  0.16  1.0
  Re  Re2  1  0.72  0.17  0.72  1.0
  Si  Si3  1  0.85  0.17  0.85  1.0
  Si  Si4  1  0.88  0.17  0.88  1.0
  Si  Si5  1  0.98  0.0  0.98  1.0

Re Si Si Si Si Si
Re Si Si Si Si Si 0 1 o o o 1 2 o o o 2 5 o o o 3 4 o o o 4 5 o o + 