data_[Rb2Sc2Be4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  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 [8.5762]
_cell_length_b [5.3826]
_cell_length_c [8.2754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbScBe2F8]
_chemical_formula_sum '[Rb2 Sc2 Be4 F16]'
_cell_volume [380.7450]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1308  0.5000  0.7893  1.0
  F  F3  8  0.0291  0.2614  0.8263  1.0
  F  F4  4  0.1789  0.5000  0.6202  1.0
  F  F5  4  0.2296  0.0000  0.0731  1.0
]