data_[Pa2Tl4I8Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1384]
_cell_length_b [8.4912]
_cell_length_c [8.2675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaTl2(I2Br)2]
_chemical_formula_sum '[Pa2 Tl4 I8 Br4]'
_cell_volume [822.1228]
_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
[
  Pa  Pa0  2  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.2382  0.0000  0.2013  1
  I  I2  8  0.0595  0.2526  0.8077  1
  Br  Br3  4  0.2245  0.0000  0.6078  1
]