data_[Tl4H2Pd2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9941]
_cell_length_b [6.7321]
_cell_length_c [13.3224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2HPdBr6]
_chemical_formula_sum '[Tl4 H2 Pd2 Br12]'
_cell_volume [646.8536]
_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
[
  Tl  Tl0  4  0.2523  0.5308  0.7679  1.0
  Pd  Pd1  2  0.0000  0.0000  0.5000  1.0
  H  H2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1280  0.1798  0.9911  1.0
  Br  Br4  4  0.1413  0.0234  0.7055  1.0
  Br  Br5  4  0.4347  0.7326  0.5196  1.0
]