data_[Ru2Se6]
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 [Pm]
_cell_length_a [17.2533]
_cell_length_b [5.6907]
_cell_length_c [17.2533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [RuSe3]
_chemical_formula_sum '[Ru2 Se6]'
_cell_volume [1467.0360]
_cell_formula_units_Z [2]
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  2  0.4810  0.2531  0.4750  1
  Se  Se1  1  0.3646  0.5000  0.4645  1
  Se  Se2  1  0.4257  0.0000  0.5545  1
  Se  Se3  1  0.4274  0.0000  0.3492  1
  Se  Se4  1  0.5961  0.5000  0.4729  1
  Se  Se5  1  0.6109  0.0000  0.5887  1
  Se  Se6  1  0.6133  0.5000  0.6202  1
]