data_[Na4Zr4Ag4S12]
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
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.9391]
_cell_length_b [3.7796]
_cell_length_c [11.3467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaZrAgS3]
_chemical_formula_sum '[Na4 Zr4 Ag4 S12]'
_cell_volume [512.0264]
_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  0.1373  0.7500  0.0006  1
  Zr  Zr1  4  0.0550  0.7500  0.3347  1
  Ag  Ag2  4  0.2403  0.7500  0.7083  1
  S  S3  4  0.0474  0.2500  0.1693  1
  S  S4  4  0.0725  0.7500  0.5780  1
  S  S5  4  0.2446  0.2500  0.8647  1
]