data_[Li6Pa8Tl2S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Im-3]
_cell_length_a [9.9359]
_cell_length_b [9.9359]
_cell_length_c [9.9359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Li3Pa4TlS12]
_chemical_formula_sum '[Li6 Pa8 Tl2 S24]'
_cell_volume [980.8975]
_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
[
  Li  Li0  6  0.0000  0.0000  0.5000  1
  Pa  Pa1  8  0.2500  0.2500  0.2500  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  S  S3  24  0.0000  0.1798  0.3080  1
]