data_[K2U4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3801]
_cell_length_b [8.6993]
_cell_length_c [8.1757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(UBr4)2]
_chemical_formula_sum '[K2 U4 Br16]'
_cell_volume [935.6920]
_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  0.0000  0.0000  0.0000  1
  U  U1  4  0.2279  0.5000  0.4798  1
  Br  Br2  8  0.1211  0.2175  0.3532  1
  Br  Br3  4  0.1229  0.5000  0.7353  1
  Br  Br4  4  0.1904  0.0000  0.8068  1
]