data_[K6U4Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.3839]
_cell_length_b [16.4615]
_cell_length_c [4.7125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [K3(USe4)2]
_chemical_formula_sum '[K6 U4 Se16]'
_cell_volume [727.9470]
_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  4  0.2094  0.5000  0.0000  1
  K  K1  2  0.0000  0.0000  0.5000  1
  U  U2  4  0.0000  0.2486  0.5000  1
  Se  Se3  8  0.2481  0.3515  0.5000  1
  Se  Se4  4  0.0000  0.1430  0.0000  1
  Se  Se5  4  0.0000  0.3444  0.0000  1
]