data_[Ru36Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.8849]
_cell_length_b [10.8849]
_cell_length_c [10.8849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ru9Se8]
_chemical_formula_sum '[Ru36 Se32]'
_cell_volume [1289.6485]
_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  32  0.1224  0.1224  0.6224  1
  Ru  Ru1  4  0.0000  0.0000  0.0000  1
  Se  Se2  24  0.0000  0.0000  0.2274  1
  Se  Se3  8  0.2500  0.2500  0.2500  1
]