data_[K8Mg4U4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  U  1.3800  1.7500  0.9913
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0521]
_cell_length_b [18.3237]
_cell_length_c [14.1546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2MgUS5]
_chemical_formula_sum '[K8 Mg4 U4 S20]'
_cell_volume [1050.9793]
_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  0.0877  0.6641  1
  K  K1  4  0.0000  0.1244  0.3137  1
  Mg  Mg2  4  0.0000  0.4304  0.4356  1
  U  U3  4  0.0000  0.2200  0.0261  1
  S  S4  4  0.0000  0.0790  0.0393  1
  S  S5  4  0.0000  0.2745  0.6435  1
  S  S6  4  0.0000  0.2924  0.4057  1
  S  S7  4  0.0000  0.3510  0.0025  1
  S  S8  4  0.0000  0.4951  0.2935  1
]