data_[Na3Tl3Sn12S24]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.6351]
_cell_length_b [7.6351]
_cell_length_c [23.2437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaTl(SnS2)4]
_chemical_formula_sum '[Na3 Tl3 Sn12 S24]'
_cell_volume [1173.4389]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.9910  1.0
  Tl  Tl1  3  0.0000  0.0000  0.6325  1.0
  Sn  Sn2  9  0.0058  0.5029  0.5014  1.0
  Sn  Sn3  3  0.0000  0.0000  0.3883  1.0
  S  S4  9  0.0305  0.5153  0.7663  1.0
  S  S5  9  0.1774  0.3549  0.5622  1.0
  S  S6  3  0.0000  0.0000  0.2277  1.0
  S  S7  3  0.0000  0.0000  0.7709  1.0
]