data_[La2Pa2Pd2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [6.4731]
_cell_length_b [6.2060]
_cell_length_c [7.9021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaPaPdS4]
_chemical_formula_sum '[La2 Pa2 Pd2 S8]'
_cell_volume [303.0108]
_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
[
  La  La0  2  0.2356  0.2500  0.0533  1
  Pa  Pa1  2  0.2383  0.2500  0.5578  1
  Pd  Pd2  2  0.2342  0.7500  0.3219  1
  S  S3  4  0.0372  0.5206  0.7355  1
  S  S4  2  0.4522  0.7500  0.1244  1
  S  S5  2  0.4637  0.7500  0.6152  1
]