data_[K8U4P12Se36]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [10.2446]
_cell_length_b [10.6167]
_cell_length_c [16.7833]
_cell_angle_alpha [90.0385]
_cell_angle_beta [107.2917]
_cell_angle_gamma [91.6772]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2U(PSe3)3]
_chemical_formula_sum '[K8 U4 P12 Se36]'
_cell_volume [1742.0964]
_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  2  0.0285  0.7537  0.5336  1
  K  K1  2  0.2479  0.8141  0.8667  1
  K  K2  2  0.2958  0.3306  0.1499  1
  K  K3  2  0.4476  0.2396  0.4514  1
  U  U4  2  0.1937  0.2778  0.7757  1
  U  U5  2  0.2225  0.7801  0.1684  1
  P  P6  2  0.0486  0.4570  0.2734  1
  P  P7  2  0.0727  0.0756  0.9914  1
  P  P8  2  0.2184  0.5860  0.3494  1
  P  P9  2  0.2759  0.0678  0.6215  1
  P  P10  2  0.4634  0.9975  0.7188  1
  P  P11  2  0.4898  0.4281  0.9462  1
  Se  Se12  2  0.0059  0.4384  0.8507  1
  Se  Se13  2  0.0115  0.7433  0.9859  1
  Se  Se14  2  0.0313  0.0701  0.8515  1
  Se  Se15  2  0.1061  0.7704  0.3255  1
  Se  Se16  2  0.1077  0.2626  0.2776  1
  Se  Se17  2  0.1135  0.5039  0.6673  1
  Se  Se18  2  0.1241  0.0203  0.6897  1
  Se  Se19  2  0.2506  0.9829  0.5006  1
  Se  Se20  2  0.2761  0.0090  0.0681  1
  Se  Se21  2  0.2848  0.5323  0.4787  1
  Se  Se22  2  0.2900  0.2763  0.6260  1
  Se  Se23  2  0.2922  0.6203  0.0369  1
  Se  Se24  2  0.3478  0.9453  0.3131  1
  Se  Se25  2  0.3575  0.2700  0.9646  1
  Se  Se26  2  0.3728  0.5856  0.2800  1
  Se  Se27  2  0.3740  0.5091  0.8242  1
  Se  Se28  2  0.4239  0.7961  0.7251  1
  Se  Se29  2  0.4662  0.1250  0.8280  1
]