data_[K2Rb6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.8984]
_cell_length_b [8.8984]
_cell_length_c [11.0065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [KRb3S8]
_chemical_formula_sum '[K2 Rb6 S16]'
_cell_volume [871.5119]
_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
[
  Rb  Rb0  4  0.0000  0.5000  0.2500  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Rb  Rb2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.1459  0.1459  0.7526  1
  S  S4  8  0.2403  0.2403  0.8995  1
]