data_[Na6Ti4Co2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4617]
_cell_length_b [11.2029]
_cell_length_c [7.2564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ti2CoSe6]
_chemical_formula_sum '[Na6 Ti4 Co2 Se12]'
_cell_volume [501.5338]
_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  0.0000  0.1694  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti2  4  0.0000  0.3345  0.0000  1.0
  Co  Co3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2298  0.1621  0.2039  1.0
  Se  Se5  4  0.2450  0.5000  0.2049  1.0
]