data_[K2U6S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.3245]
_cell_length_b [4.1079]
_cell_length_c [11.4757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [K(US2)3]
_chemical_formula_sum '[K2 U6 S12]'
_cell_volume [507.9368]
_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
[
  K  K0  2  0.0814  0.2500  0.6879  1
  U  U1  2  0.1606  0.2500  0.0754  1
  U  U2  2  0.3185  0.7500  0.4865  1
  U  U3  2  0.4903  0.2500  0.8329  1
  S  S4  2  0.0753  0.7500  0.9130  1
  S  S5  2  0.1547  0.2500  0.4355  1
  S  S6  2  0.2689  0.7500  0.2223  1
  S  S7  2  0.3256  0.7500  0.7342  1
  S  S8  2  0.3794  0.2500  0.0182  1
  S  S9  2  0.4692  0.2500  0.5893  1
]