data_[K6Pa4S10Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.3012]
_cell_length_b [5.3012]
_cell_length_c [26.5735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [K3Pa2S5Cl2]
_chemical_formula_sum '[K6 Pa4 S10 Cl4]'
_cell_volume [746.7819]
_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
[
  K  K0  4  0.0000  0.0000  0.1787  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Pa  Pa2  4  0.0000  0.0000  0.4012  1
  S  S3  8  0.0000  0.5000  0.1015  1
  S  S4  2  0.0000  0.0000  0.5000  1
  Cl  Cl5  4  0.0000  0.0000  0.2979  1
]