data_[Pa4Tl8Bi4S20]
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
  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 [4.1834]
_cell_length_b [17.3326]
_cell_length_c [15.1133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PaTl2BiS5]
_chemical_formula_sum '[Pa4 Tl8 Bi4 S20]'
_cell_volume [1095.8649]
_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
[
  Pa  Pa0  4  0.0000  0.2230  0.0261  1
  Tl  Tl1  4  0.0000  0.0841  0.6736  1
  Tl  Tl2  4  0.0000  0.1373  0.2989  1
  Bi  Bi3  4  0.0000  0.4701  0.4469  1
  S  S4  4  0.0000  0.0713  0.0601  1
  S  S5  4  0.0000  0.2664  0.6347  1
  S  S6  4  0.0000  0.3098  0.4145  1
  S  S7  4  0.0000  0.3656  0.9885  1
  S  S8  4  0.0000  0.4934  0.7806  1
]