data_[Li8Pa4Pd4S16]
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 [Cmcm]
_cell_length_a [3.8598]
_cell_length_b [12.8807]
_cell_length_c [12.0962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2PaPdS4]
_chemical_formula_sum '[Li8 Pa4 Pd4 S16]'
_cell_volume [601.3885]
_cell_formula_units_Z [4]
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  8  0.0000  0.3988  0.5542  1
  Pa  Pa1  4  0.0000  0.0922  0.7500  1
  Pd  Pd2  4  0.0000  0.1713  0.2500  1
  S  S3  8  0.0000  0.3127  0.1241  1
  S  S4  4  0.0000  0.0000  0.0000  1
  S  S5  4  0.0000  0.4437  0.7500  1
]