data_[Na4Se4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0467]
_cell_length_b [4.4091]
_cell_length_c [6.0891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Se2S3]
_chemical_formula_sum '[Na4 Se4 S6]'
_cell_volume [342.4673]
_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  0.1386  0.5000  0.6874  1
  Se  Se1  4  0.1010  0.0000  0.1923  1
  S  S2  4  0.1704  0.5000  0.1972  1
  S  S3  2  0.0000  0.0000  0.5000  1
]