data_[Na4Ge4Sb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.4507]
_cell_length_b [11.2561]
_cell_length_c [8.8756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaGeSbS4]
_chemical_formula_sum '[Na4 Ge4 Sb4 S16]'
_cell_volume [744.3504]
_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  0.5000  0.0000  1.0
  Ge  Ge1  4  0.0000  0.1277  0.7500  1.0
  Sb  Sb2  4  0.0000  0.1715  0.2500  1.0
  S  S3  8  0.0000  0.2384  0.5479  1.0
  S  S4  8  0.2282  0.0098  0.2500  1.0
]