data_[K4Be8Tl4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2081]
_cell_length_b [13.2495]
_cell_length_c [17.3057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KBe2TlI6]
_chemical_formula_sum '[K4 Be8 Tl4 I24]'
_cell_volume [2065.8316]
_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  0.4620  0.2500  1.0
  Be  Be1  8  0.2070  0.1818  0.1786  1.0
  Tl  Tl2  4  0.0000  0.1065  0.7500  1.0
  I  I3  8  0.1682  0.0300  0.1123  1.0
  I  I4  8  0.1690  0.3323  0.1099  1.0
  I  I5  8  0.2020  0.3152  0.6861  1.0
]