data_RuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   3.11
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuSe
_chemical_formula_sum   'Ru4 Se4'
_cell_volume   132.84
_cell_formula_units_Z   4
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
  Ru  Ru0  1  0.32  0.78  0.29  1.0
  Ru  Ru1  1  0.4  0.33  0.99  1.0
  Ru  Ru2  1  0.08  0.78  0.61  1.0
  Ru  Ru3  1  0.16  0.33  0.31  1.0
  Se  Se4  1  0.42  0.78  0.89  1.0
  Se  Se5  1  0.29  0.33  0.19  1.0
  Se  Se6  1  0.19  0.78  0.41  1.0
  Se  Se7  1  0.05  0.33  0.7  1.0

data_RuSe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.11
_cell_length_b   6.48
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RuSe
_chemical_formula_sum   'Ru4 Se4'
_cell_volume   132.84
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ru  Ru0  2  0.22  0.34  0.81  1.0
  Ru  Ru1  2  0.22  0.58  0.49  1.0
  Se  Se2  2  0.22  0.45  0.61  1.0
  Se  Se3  2  0.22  0.69  0.09  1.0

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