data_[U2Be2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2574]
_cell_length_b [7.7031]
_cell_length_c [4.7292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UBeF6]
_chemical_formula_sum '[U2 Be2 F12]'
_cell_volume [187.4017]
_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
[
  U  U0  2  0.0000  0.0000  0.0000  1
  Be  Be1  2  0.0000  0.5000  0.5000  1
  F  F2  8  0.1658  0.3432  0.7494  1
  F  F3  4  0.2380  0.0000  0.6745  1
]