data_[Na4As4S4]
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 [C2/m]
_cell_length_a [10.1160]
_cell_length_b [3.8541]
_cell_length_c [8.3283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaAsS]
_chemical_formula_sum '[Na4 As4 S4]'
_cell_volume [305.4077]
_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  0.0874  0.5000  0.8819  1.0
  As  As1  4  0.2051  0.5000  0.5652  1.0
  S  S2  4  0.1406  0.0000  0.1683  1.0
]