data_[Be4Sb4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9949]
_cell_length_b [4.1791]
_cell_length_c [10.0406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BeSbH2]
_chemical_formula_sum '[Be4 Sb4 H8]'
_cell_volume [293.4418]
_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
[
  Be  Be0  4  0.1423  0.1851  0.0003  1.0
  Sb  Sb1  4  0.1720  0.6962  0.5817  1.0
  H  H2  4  0.0030  0.2311  0.1071  1.0
  H  H3  4  0.1822  0.8493  0.0008  1.0
]