data_[Ba8Dy4Tl4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1681]
_cell_length_b [18.3652]
_cell_length_c [13.0311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2DyTlS5]
_chemical_formula_sum '[Ba8 Dy4 Tl4 S20]'
_cell_volume [997.5004]
_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
[
  Ba  Ba0  4  0.0000  0.1180  0.6845  1
  Ba  Ba1  4  0.0000  0.1362  0.3129  1
  Dy  Dy2  4  0.0000  0.2121  0.0175  1
  Tl  Tl3  4  0.0000  0.4549  0.4459  1
  S  S4  4  0.0000  0.0539  0.0609  1
  S  S5  4  0.0000  0.2899  0.6546  1
  S  S6  4  0.0000  0.3132  0.3747  1
  S  S7  4  0.0000  0.3554  0.0025  1
  S  S8  4  0.0000  0.4940  0.7704  1
]