data_[B4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.7221]
_cell_length_b [3.3730]
_cell_length_c [5.2317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BH2]
_chemical_formula_sum '[B4 H8]'
_cell_volume [93.4480]
_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
[
  B  B0  4  0.1615  0.7043  0.0693  1
  H  H1  4  0.2017  0.8815  0.8691  1
  H  H2  4  0.2313  0.3163  0.6964  1
]