data_[Th2Pa2Pd2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4632]
_cell_length_b [6.3640]
_cell_length_c [7.5974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThPaPdS4]
_chemical_formula_sum '[Th2 Pa2 Pd2 S8]'
_cell_volume [299.1646]
_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
[
  Th  Th0  2  0.2186  0.2500  0.0539  1
  Pa  Pa1  2  0.2250  0.2500  0.5561  1
  Pd  Pd2  2  0.2386  0.7500  0.3149  1
  S  S3  4  0.0337  0.5185  0.7470  1
  S  S4  2  0.4633  0.7500  0.1164  1
  S  S5  2  0.4671  0.7500  0.6205  1
]