data_[Cs2Be2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.8935]
_cell_length_b [17.6226]
_cell_length_c [11.2508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CsBeF3]
_chemical_formula_sum '[Cs2 Be2 F6]'
_cell_volume [970.1618]
_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
[
  Cs  Cs0  2  0.9025  0.4649  0.8691  1
  Be  Be1  2  0.4882  0.4691  0.1267  1
  F  F2  2  0.3720  0.4658  0.2470  1
  F  F3  2  0.3828  0.4256  0.0238  1
  F  F4  2  0.7303  0.4813  0.6092  1
]