data_Re4Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   92.27
_cell_angle_beta   92.27
_cell_angle_gamma   157.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re4Se5
_chemical_formula_sum   'Re4 Se5'
_cell_volume   157.14
_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  0.68  0.0  1.0
  Re  Re1  1  0.0  0.63  0.0  1.0
  Re  Re2  1  0.63  0.0  0.0  1.0
  Re  Re3  1  0.68  0.0  0.0  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0
  Se  Se5  1  0.34  0.66  0.48  1.0
  Se  Se6  1  0.66  0.34  0.48  1.0
  Se  Se7  1  0.49  0.49  0.0  1.0
  Se  Se8  1  0.66  0.66  0.48  1.0

data_Re4Se5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.96
_cell_length_b   14.57
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   101.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Re4Se5
_chemical_formula_sum   'Re8 Se10'
_cell_volume   314.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.16  0.16  0.0  1.0
  Re  Re1  4  0.19  0.19  0.0  1.0
  Se  Se2  4  0.48  0.34  0.48  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0
  Se  Se4  2  0.01  0.5  0.0  1.0
  Se  Se5  2  0.32  0.5  0.48  1.0

Re Re Re Re Se Se Se Se Se
Re Re Re Re Se Se Se Se Se 0 1 o o o 2 3 o o o 4 7 - - o 4 7 o o o 5 6 - o o 5 6 o + o 5 5 + + o 5 8 o o o 6 6 + + o 6 8 o o o 