data_[Pa4Tl6Pd2S12]
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
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6452]
_cell_length_b [12.3920]
_cell_length_c [7.8405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2Tl3PdS6]
_chemical_formula_sum '[Pa4 Tl6 Pd2 S12]'
_cell_volume [622.6465]
_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  0.0000  0.3364  0.0000  1
  Tl  Tl1  4  0.0000  0.1494  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2454  0.3075  0.7849  1
  S  S5  4  0.2368  0.5000  0.1700  1
]