data_[La2Be4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [10.2407]
_cell_length_b [4.5842]
_cell_length_c [6.1629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaBe2F8]
_chemical_formula_sum '[La2 Be4 F16]'
_cell_volume [264.6978]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1
  Be  Be1  4  0.2075  0.0000  0.6758  1
  F  F2  8  0.1296  0.2412  0.7687  1
  F  F3  4  0.1290  0.5000  0.1710  1
  F  F4  4  0.1634  0.0000  0.4082  1
]