data_[K3Li3Pa6S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.0640]
_cell_length_b [7.0640]
_cell_length_c [18.2885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KLi(PaS3)2]
_chemical_formula_sum '[K3 Li3 Pa6 S18]'
_cell_volume [790.3360]
_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
[
  K  K0  3  0.0000  0.0000  0.2339  1
  Li  Li1  3  0.0000  0.0000  0.6761  1
  Pa  Pa2  3  0.0000  0.0000  0.4846  1
  Pa  Pa3  3  0.0000  0.0000  0.9945  1
  S  S4  9  0.0008  0.3751  0.7400  1
  S  S5  9  0.0083  0.5639  0.2431  1
]