data_[Na4As4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.1519]
_cell_length_b [16.3715]
_cell_length_c [6.6800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.5863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaAsCl4]
_chemical_formula_sum '[Na4 As4 Cl16]'
_cell_volume [715.8460]
_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  0.0000  0.4260  0.7500  1.0
  As  As1  4  0.0000  0.0754  0.2500  1.0
  Cl  Cl2  8  0.1950  0.8304  0.7331  1.0
  Cl  Cl3  8  0.2483  0.0542  0.7213  1.0
]