data_[Al2Tl2Te2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7498]
_cell_length_b [7.0587]
_cell_length_c [8.6111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AlTlTeS4]
_chemical_formula_sum '[Al2 Tl2 Te2 S8]'
_cell_volume [390.9401]
_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
[
  Al  Al0  2  0.2543  0.7500  0.8333  1.0
  Tl  Tl1  2  0.2279  0.2500  0.5438  1.0
  Te  Te2  2  0.2302  0.2500  0.0122  1.0
  S  S3  4  0.0310  0.5021  0.7889  1.0
  S  S4  2  0.4746  0.7500  0.0936  1.0
  S  S5  2  0.4890  0.7500  0.6981  1.0
]