data_[Be2B4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2799]
_cell_length_b [6.7495]
_cell_length_c [3.6716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Be(BH4)2]
_chemical_formula_sum '[Be2 B4 H16]'
_cell_volume [180.3933]
_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
[
  Be  Be0  2  0.0000  0.0000  0.0000  1
  B  B1  4  0.2002  0.0000  0.6716  1
  H  H2  8  0.1239  0.1520  0.7969  1
  H  H3  4  0.1400  0.5000  0.2433  1
  H  H4  4  0.1747  0.0000  0.3424  1
]