data_[U4Be4Tl8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0398]
_cell_length_b [18.3698]
_cell_length_c [13.9361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [UBeTl2Se5]
_chemical_formula_sum '[U4 Be4 Tl8 Se20]'
_cell_volume [1034.2116]
_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
[
  U  U0  4  0.0000  0.1961  0.0262  1
  Be  Be1  4  0.0000  0.4289  0.4229  1
  Tl  Tl2  4  0.0000  0.1065  0.6776  1
  Tl  Tl3  4  0.0000  0.1072  0.3377  1
  Se  Se4  4  0.0000  0.0489  0.0117  1
  Se  Se5  4  0.0000  0.2999  0.6586  1
  Se  Se6  4  0.0000  0.3077  0.3889  1
  Se  Se7  4  0.0000  0.3383  0.0116  1
  Se  Se8  4  0.0000  0.4893  0.2886  1
]