data_[Na4Tl8Zn4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.6503]
_cell_length_b [9.3301]
_cell_length_c [10.7178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [NaTl2ZnS4]
_chemical_formula_sum '[Na4 Tl8 Zn4 S16]'
_cell_volume [865.0147]
_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  0.0000  0.0096  1.0
  Tl  Tl1  8  0.2500  0.2500  0.2581  1.0
  Zn  Zn2  4  0.0000  0.0000  0.5016  1.0
  S  S3  8  0.0000  0.2213  0.6096  1.0
  S  S4  8  0.2256  0.0000  0.3769  1.0
]