data_[Rb1Be2F5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6849]
_cell_length_b [4.7313]
_cell_length_c [6.8078]
_cell_angle_alpha [104.8478]
_cell_angle_beta [93.1704]
_cell_angle_gamma [119.2243]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbBe2F5]
_chemical_formula_sum '[Rb1 Be2 F5]'
_cell_volume [124.3489]
_cell_formula_units_Z [1]
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
[
  Rb  Rb0  1  0.0000  0.0000  0.0000  1.0
  Be  Be1  2  0.2108  0.5102  0.5991  1.0
  F  F2  2  0.1447  0.7941  0.5493  1.0
  F  F3  2  0.2629  0.5565  0.8260  1.0
  F  F4  1  0.5000  0.5000  0.5000  1.0
]