data_[Sr8Tl4Bi4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1208]
_cell_length_b [18.0471]
_cell_length_c [12.5783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TlBiS5]
_chemical_formula_sum '[Sr8 Tl4 Bi4 S20]'
_cell_volume [935.4379]
_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
[
  Sr  Sr0  4  0.0000  0.1125  0.6812  1
  Sr  Sr1  4  0.0000  0.1314  0.3090  1
  Tl  Tl2  4  0.0000  0.4502  0.4478  1
  Bi  Bi3  4  0.0000  0.2167  0.0194  1
  S  S4  4  0.0000  0.0462  0.0692  1
  S  S5  4  0.0000  0.2815  0.6707  1
  S  S6  4  0.0000  0.3128  0.3604  1
  S  S7  4  0.0000  0.3619  0.9988  1
  S  S8  4  0.0000  0.4933  0.7674  1
]