data_[Be4Pb4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1730]
_cell_length_b [5.2749]
_cell_length_c [6.5729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BePbF4]
_chemical_formula_sum '[Be4 Pb4 F16]'
_cell_volume [283.3654]
_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
[
  Be  Be0  4  0.1245  0.2500  0.6925  1
  Pb  Pb1  4  0.1513  0.2500  0.1726  1
  F  F2  8  0.0988  0.0104  0.8285  1
  F  F3  4  0.0242  0.2500  0.4978  1
  F  F4  4  0.1903  0.7500  0.1537  1
]