data_[Na8Zr4Si4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6482]
_cell_length_b [17.7788]
_cell_length_c [12.6764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2ZrSiS5]
_chemical_formula_sum '[Na8 Zr4 Si4 S20]'
_cell_volume [822.1878]
_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  0.3831  0.8308  1.0
  Na  Na1  4  0.0000  0.3957  0.1597  1.0
  Zr  Zr2  4  0.0000  0.2817  0.5446  1.0
  Si  Si3  4  0.0000  0.0701  0.9157  1.0
  S  S4  4  0.0000  0.0088  0.7792  1.0
  S  S5  4  0.0000  0.1520  0.5034  1.0
  S  S6  4  0.0000  0.1892  0.8932  1.0
  S  S7  4  0.0000  0.2021  0.1774  1.0
  S  S8  4  0.0000  0.4471  0.5202  1.0
]