data_[Na12Co2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [8.9048]
_cell_length_b [8.9048]
_cell_length_c [6.9100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Na6CoS4]
_chemical_formula_sum '[Na12 Co2 S8]'
_cell_volume [474.5214]
_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  6  0.0619  0.5310  0.8674  1
  Na  Na1  6  0.1472  0.2945  0.5399  1
  Co  Co2  2  0.3333  0.6667  0.2525  1
  S  S3  6  0.1902  0.3805  0.1459  1
  S  S4  2  0.3333  0.6667  0.5878  1
]