data_[Na1As1S1O1]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.7818]
_cell_length_b [3.6405]
_cell_length_c [5.6799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NaAsSO]
_chemical_formula_sum '[Na1 As1 S1 O1]'
_cell_volume [78.1230]
_cell_formula_units_Z [1]
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  1  0.8030  0.5000  0.4261  1
  As  As1  1  0.3027  0.0000  0.0199  1
  S  S2  1  0.8857  0.5000  0.9304  1
  O  O3  1  0.3246  0.0000  0.3265  1
]