data_[B2H2I2]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6271]
_cell_length_b [2.9272]
_cell_length_c [6.8692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BHI]
_chemical_formula_sum '[B2 H2 I2]'
_cell_volume [132.6527]
_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
[
  B  B0  2  0.4737  0.7500  0.4225  1
  H  H1  2  0.3351  0.7500  0.2964  1
  I  I2  2  0.2352  0.2500  0.7696  1
]