data_[Na6Ru2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.8767]
_cell_length_b [19.2364]
_cell_length_c [10.6004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Na3RuSe3]
_chemical_formula_sum '[Na6 Ru2 Se6]'
_cell_volume [1124.0707]
_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
[
  Na  Na0  4  0.1830  0.4198  0.5430  1
  Na  Na1  2  0.5000  0.4384  0.2500  1
  Ru  Ru2  2  0.0000  0.4887  0.7500  1
  Se  Se3  4  0.2927  0.4279  0.9149  1
  Se  Se4  2  0.0000  0.3899  0.2500  1
]