data_[Ba2Na2Be4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  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 [8.1641]
_cell_length_b [5.5099]
_cell_length_c [8.1252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNaBe2F8]
_chemical_formula_sum '[Ba2 Na2 Be4 F16]'
_cell_volume [364.7555]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1057  0.5000  0.7659  1.0
  F  F3  8  0.0041  0.2640  0.7752  1.0
  F  F4  4  0.1861  0.5000  0.5949  1.0
  F  F5  4  0.2270  0.5000  0.9230  1.0
]