data_[Tl8Sn4H4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.9656]
_cell_length_b [18.8483]
_cell_length_c [13.8523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2SnHBr5]
_chemical_formula_sum '[Tl8 Sn4 H4 Br20]'
_cell_volume [1296.4701]
_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
[
  Tl  Tl0  4  0.0000  0.1224  0.2645  1.0
  Tl  Tl1  4  0.0000  0.1305  0.7062  1.0
  Sn  Sn2  4  0.0000  0.4097  0.4757  1.0
  H  H3  4  0.0000  0.2757  0.0401  1.0
  Br  Br4  4  0.0000  0.0255  0.0529  1.0
  Br  Br5  4  0.0000  0.2969  0.3378  1.0
  Br  Br6  4  0.0000  0.3013  0.6361  1.0
  Br  Br7  4  0.0000  0.3485  0.0082  1.0
  Br  Br8  4  0.0000  0.4984  0.3025  1.0
]