data_[K8U4B4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  U  1.3800  1.7500  0.9913
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9627]
_cell_length_b [17.9899]
_cell_length_c [13.7236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2UBS5]
_chemical_formula_sum '[K8 U4 B4 S20]'
_cell_volume [978.3277]
_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
[
  K  K0  4  0.0000  0.1169  0.3442  1
  K  K1  4  0.0000  0.1181  0.6774  1
  U  U2  4  0.0000  0.1879  0.0355  1
  B  B3  4  0.0000  0.4220  0.4006  1
  S  S4  4  0.0000  0.0496  0.9953  1
  S  S5  4  0.0000  0.3127  0.6616  1
  S  S6  4  0.0000  0.3192  0.3957  1
  S  S7  4  0.0000  0.3234  0.0126  1
  S  S8  4  0.0000  0.4835  0.3011  1
]