data_[Na4As4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [12.8251]
_cell_length_b [5.8423]
_cell_length_c [5.6990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaAsS2]
_chemical_formula_sum '[Na4 As4 S8]'
_cell_volume [394.5660]
_cell_formula_units_Z [4]
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  0.4963  0.2639  0.9961  1.0
  As  As1  4  0.2848  0.2107  0.3322  1.0
  S  S2  4  0.2460  0.1751  0.7045  1.0
  S  S3  4  0.4698  0.2339  0.4733  1.0
]