data_[K6Be2Tl8F16]
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 [12.6622]
_cell_length_b [7.3532]
_cell_length_c [7.9267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3BeTl4F8]
_chemical_formula_sum '[K6 Be2 Tl8 F16]'
_cell_volume [635.0616]
_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  4  0.2500  0.2500  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Be  Be2  2  0.0000  0.0000  0.5000  1
  Tl  Tl3  4  0.2500  0.2500  0.0000  1
  Tl  Tl4  2  0.0000  0.0000  0.0000  1
  Tl  Tl5  2  0.0000  0.5000  0.0000  1
  F  F6  8  0.0104  0.1619  0.3599  1
  F  F7  4  0.2368  0.5000  0.2573  1
  F  F8  4  0.2402  0.5000  0.7345  1
]