data_[La4Tl8Sb4S16]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.4442]
_cell_length_b [8.6791]
_cell_length_c [12.1104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LaTl2SbS4]
_chemical_formula_sum '[La4 Tl8 Sb4 S16]'
_cell_volume [887.5401]
_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  0.2500  1
  Sb  Sb3  4  0.2500  0.2500  0.7500  1
  S  S4  8  0.0000  0.0334  0.7390  1
  S  S5  8  0.2251  0.2500  0.5191  1
]