data_[Pa8Tl2S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8487]
_cell_length_b [4.2188]
_cell_length_c [11.7011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa4TlS8]
_chemical_formula_sum '[Pa8 Tl2 S16]'
_cell_volume [669.6441]
_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  4  0.1284  0.0000  0.9564  1
  Pa  Pa1  4  0.1554  0.5000  0.3144  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  S  S3  4  0.0486  0.5000  0.7837  1
  S  S4  4  0.0788  0.0000  0.1478  1
  S  S5  4  0.1546  0.0000  0.4764  1
  S  S6  4  0.2385  0.5000  0.1323  1
]