data_[La8Tl4S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1612]
_cell_length_b [4.2692]
_cell_length_c [9.4632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Tl2S]
_chemical_formula_sum '[La8 Tl4 S2]'
_cell_volume [449.8915]
_cell_formula_units_Z [2]
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  0.0838  0.0000  0.3482  1
  La  La1  4  0.1640  0.5000  0.0693  1
  Tl  Tl2  4  0.1301  0.5000  0.6648  1
  S  S3  2  0.0000  0.0000  0.0000  1
]