data_[Ba2Be4Ag2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0915]
_cell_length_b [5.5080]
_cell_length_c [8.1837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaBe2AgF8]
_chemical_formula_sum '[Ba2 Be4 Ag2 F16]'
_cell_volume [362.2114]
_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
  Be  Be1  4  0.1193  0.5000  0.7691  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0120  0.2652  0.7732  1.0
  F  F4  4  0.1932  0.5000  0.6006  1.0
  F  F5  4  0.2451  0.5000  0.9310  1.0
]