data_[Rb4Be16B12O36]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4933]
_cell_length_b [13.2305]
_cell_length_c [6.1809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbBe4(BO3)3]
_chemical_formula_sum '[Rb4 Be16 B12 O36]'
_cell_volume [694.5463]
_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  0.0702  0.7500  0.6684  1
  Be  Be1  8  0.0642  0.0566  0.9061  1
  Be  Be2  8  0.2172  0.6437  0.1522  1
  B  B3  8  0.1740  0.0375  0.3104  1
  B  B4  4  0.0542  0.2500  0.8132  1
  O  O5  8  0.0240  0.6606  0.1568  1
  O  O6  8  0.0464  0.0378  0.1682  1
  O  O7  8  0.2117  0.1218  0.4205  1
  O  O8  8  0.2423  0.0534  0.8253  1
  O  O9  4  0.2095  0.2500  0.7518  1
]