data_[La4Tl8In4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.2316]
_cell_length_b [8.7046]
_cell_length_c [12.0688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LaTl2InS4]
_chemical_formula_sum '[La4 Tl8 In4 S16]'
_cell_volume [864.7595]
_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
[
  La  La0  4  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.2500  0.2500  0.7500  1
  In  In3  4  0.2500  0.2500  0.2500  1
  S  S4  8  0.0000  0.0434  0.2579  1
  S  S5  8  0.2274  0.2500  0.4806  1
]