data_[K2Be4Tl2F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2924]
_cell_length_b [5.5125]
_cell_length_c [8.1699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KBe2TlF8]
_chemical_formula_sum '[K2 Be4 Tl2 F16]'
_cell_volume [372.8501]
_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  0.5000  1.0
  Be  Be1  4  0.1252  0.5000  0.7791  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0144  0.2642  0.7973  1.0
  F  F4  4  0.2025  0.5000  0.6200  1.0
  F  F5  4  0.2388  0.5000  0.9445  1.0
]