data_[Rb8Pa4Zn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0710]
_cell_length_b [19.7600]
_cell_length_c [13.8285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2PaZnS5]
_chemical_formula_sum '[Rb8 Pa4 Zn4 S20]'
_cell_volume [1112.4163]
_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
[
  Rb  Rb0  4  0.0000  0.1162  0.6797  1
  Rb  Rb1  4  0.0000  0.1281  0.3223  1
  Pa  Pa2  4  0.0000  0.2034  0.0187  1
  Zn  Zn3  4  0.0000  0.4294  0.4358  1
  S  S4  4  0.0000  0.0669  0.0284  1
  S  S5  4  0.0000  0.2966  0.6434  1
  S  S6  4  0.0000  0.3087  0.3890  1
  S  S7  4  0.0000  0.3296  0.0052  1
  S  S8  4  0.0000  0.4930  0.3015  1
]