data_[Rb2Ba2Be2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3085]
_cell_length_b [8.5421]
_cell_length_c [8.6663]
_cell_angle_alpha [98.5688]
_cell_angle_beta [91.0015]
_cell_angle_gamma [90.2160]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbBaBe]
_chemical_formula_sum '[Rb2 Ba2 Be2]'
_cell_volume [315.3392]
_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  0.2779  0.2712  0.6593  1
  Ba  Ba1  2  0.2334  0.7786  0.8689  1
  Be  Be2  2  0.2517  0.4810  0.0208  1
]