data_[Na2Cu2Ru2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3907]
_cell_length_b [3.7377]
_cell_length_c [9.3662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCuRuSe3]
_chemical_formula_sum '[Na2 Cu2 Ru2 Se6]'
_cell_volume [244.6924]
_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  2  0.2591  0.2500  0.2876  1
  Cu  Cu1  2  0.0806  0.2500  0.6080  1
  Ru  Ru2  2  0.3109  0.7500  0.8342  1
  Se  Se3  2  0.0908  0.2500  0.8606  1
  Se  Se4  2  0.2640  0.7500  0.5538  1
  Se  Se5  2  0.4456  0.7500  0.1205  1
]