data_[Be4Tl2Hg2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1023]
_cell_length_b [5.5505]
_cell_length_c [7.8556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be2TlHgF8]
_chemical_formula_sum '[Be4 Tl2 Hg2 F16]'
_cell_volume [353.1751]
_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
[
  Be  Be0  4  0.1276  0.5000  0.7509  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0162  0.2646  0.7543  1.0
  F  F4  4  0.2166  0.5000  0.5774  1.0
  F  F5  4  0.2332  0.5000  0.9193  1.0
]