data_[Li3Pa6Fe3S18]
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
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.4608]
_cell_length_b [6.4608]
_cell_length_c [18.2304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiPa2FeS6]
_chemical_formula_sum '[Li3 Pa6 Fe3 S18]'
_cell_volume [659.0280]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1821  1
  Pa  Pa1  3  0.0000  0.0000  0.4916  1
  Pa  Pa2  3  0.0000  0.0000  0.9953  1
  Fe  Fe3  3  0.0000  0.0000  0.6647  1
  S  S4  9  0.0079  0.3583  0.4155  1
  S  S5  9  0.0268  0.6773  0.2528  1
]