data_[Al2Tl4Sb2S8]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.0702]
_cell_length_b [8.6016]
_cell_length_c [6.1356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AlTl2SbS4]
_chemical_formula_sum '[Al2 Tl4 Sb2 S8]'
_cell_volume [478.6949]
_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  0.0000  0.0989  0.0008  1.0
  Tl  Tl1  4  0.2147  0.3474  0.4534  1.0
  Sb  Sb2  2  0.0000  0.8055  0.4768  1.0
  S  S3  4  0.2010  0.2427  0.9261  1.0
  S  S4  2  0.0000  0.0786  0.3771  1.0
  S  S5  2  0.0000  0.8418  0.8863  1.0
]