data_[Li8Pa6Pd2S16]
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
  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 [13.3913]
_cell_length_b [7.4629]
_cell_length_c [7.6675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Pa3PdS8]
_chemical_formula_sum '[Li8 Pa6 Pd2 S16]'
_cell_volume [639.4837]
_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  4  0.2500  0.2500  0.5000  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Li  Li2  2  0.0000  0.5000  0.0000  1
  Pa  Pa3  4  0.2500  0.2500  0.0000  1
  Pa  Pa4  2  0.0000  0.5000  0.5000  1
  Pd  Pd5  2  0.0000  0.0000  0.5000  1
  S  S6  8  0.0064  0.2441  0.7546  1
  S  S7  4  0.2309  0.5000  0.2361  1
  S  S8  4  0.2461  0.5000  0.7312  1
]