data_[Na2Co4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [15.3241]
_cell_length_b [3.5165]
_cell_length_c [6.0013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(CoSe2)2]
_chemical_formula_sum '[Na2 Co4 Se8]'
_cell_volume [300.2434]
_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  0.0000  0.5000  0.5000  1
  Co  Co1  4  0.2475  0.0000  0.2407  1
  Se  Se2  4  0.1582  0.5000  0.9968  1
  Se  Se3  4  0.1617  0.0000  0.5034  1
]