data_[Pa2Tl4B4S12]
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
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4995]
_cell_length_b [6.7249]
_cell_length_c [8.3472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaTl2(BS3)2]
_chemical_formula_sum '[Pa2 Tl4 B4 S12]'
_cell_volume [561.0382]
_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  0.5000  0.5000  1
  Tl  Tl1  4  0.1984  0.5000  0.1878  1
  B  B2  4  0.0589  0.0000  0.2876  1
  S  S3  8  0.0362  0.2312  0.7674  1
  S  S4  4  0.2376  0.0000  0.3721  1
]