data_[K8U4Be4Se20]
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
  Be  1.5700  1.0500  0.5900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0221]
_cell_length_b [19.3704]
_cell_length_c [14.2181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2UBeSe5]
_chemical_formula_sum '[K8 U4 Be4 Se20]'
_cell_volume [1107.7312]
_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  4  0.0000  0.1180  0.6858  1
  K  K1  4  0.0000  0.1188  0.3301  1
  U  U2  4  0.0000  0.2005  0.0220  1
  Be  Be3  4  0.0000  0.4222  0.4237  1
  Se  Se4  4  0.0000  0.0615  0.0125  1
  Se  Se5  4  0.0000  0.3015  0.6539  1
  Se  Se6  4  0.0000  0.3067  0.3858  1
  Se  Se7  4  0.0000  0.3337  0.0098  1
  Se  Se8  4  0.0000  0.4865  0.3004  1
]