data_[Na8La4Tl4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4996]
_cell_length_b [11.6940]
_cell_length_c [8.0008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.2806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2LaTlS4]
_chemical_formula_sum '[Na8 La4 Tl4 S16]'
_cell_volume [783.2735]
_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
  Na  Na1  4  0.2500  0.2500  0.5000  1.0
  La  La2  4  0.2500  0.2500  0.0000  1.0
  Tl  Tl3  4  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.0021  0.2528  0.5080  1.0
  S  S5  8  0.2241  0.0013  0.4866  1.0
]