data_[Rb12Be4H20]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7699]
_cell_length_b [7.7699]
_cell_length_c [11.2669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Rb3BeH5]
_chemical_formula_sum '[Rb12 Be4 H20]'
_cell_volume [680.2018]
_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  8  0.1768  0.6768  0.5000  1.0
  Rb  Rb1  4  0.0000  0.0000  0.2500  1.0
  Be  Be2  4  0.0000  0.5000  0.2500  1.0
  H  H3  16  0.1092  0.3908  0.6734  1.0
  H  H4  4  0.0000  0.0000  0.0000  1.0
]