data_[Ru12Se24]
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 [R3m]
_cell_length_a [7.2997]
_cell_length_b [7.2997]
_cell_length_c [16.3946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [RuSe2]
_chemical_formula_sum '[Ru12 Se24]'
_cell_volume [756.5496]
_cell_formula_units_Z [12]
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  9  0.0206  0.5103  0.0100  1
  Ru  Ru1  3  0.0000  0.0000  0.4769  1
  Se  Se2  9  0.0232  0.5116  0.7485  1
  Se  Se3  9  0.0364  0.5182  0.2508  1
  Se  Se4  3  0.0000  0.0000  0.2493  1
  Se  Se5  3  0.0000  0.0000  0.7460  1
]