data_[Rb4Be4F12]
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 [Pnma]
_cell_length_a [4.7172]
_cell_length_b [5.8142]
_cell_length_c [12.4188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbBeF3]
_chemical_formula_sum '[Rb4 Be4 F12]'
_cell_volume [340.6101]
_cell_formula_units_Z [4]
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  4  0.2357  0.7500  0.5975  1.0
  Be  Be1  4  0.1805  0.2500  0.8228  1.0
  F  F2  8  0.2411  0.0297  0.8855  1.0
  F  F3  4  0.1518  0.7500  0.2102  1.0
]