data_[K4Hf2U4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0222]
_cell_length_b [12.0602]
_cell_length_c [8.3049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Hf(USe3)2]
_chemical_formula_sum '[K4 Hf2 U4 Se12]'
_cell_volume [673.8279]
_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  0.0000  0.1698  0.0000  1
  Hf  Hf1  2  0.0000  0.0000  0.5000  1
  U  U2  4  0.0000  0.3333  0.5000  1
  Se  Se3  8  0.2281  0.1576  0.7020  1
  Se  Se4  4  0.2469  0.0000  0.2989  1
]