data_[K8U4Zn4S20]
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
  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 [4.0000]
_cell_length_b [18.5663]
_cell_length_c [13.6890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2UZnS5]
_chemical_formula_sum '[K8 U4 Zn4 S20]'
_cell_volume [1016.6263]
_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  0.1022  0.6745  1
  K  K1  4  0.0000  0.1219  0.3212  1
  U  U2  4  0.0000  0.2088  0.0227  1
  Zn  Zn3  4  0.0000  0.4295  0.4309  1
  S  S4  4  0.0000  0.0703  0.0324  1
  S  S5  4  0.0000  0.2882  0.6459  1
  S  S6  4  0.0000  0.2990  0.3956  1
  S  S7  4  0.0000  0.3389  0.0062  1
  S  S8  4  0.0000  0.4935  0.2944  1
]