data_[B2H6Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [3.2927]
_cell_length_b [5.7748]
_cell_length_c [7.3986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [BH3Se]
_chemical_formula_sum '[B2 H6 Se2]'
_cell_volume [140.6637]
_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  0.4946  0.2433  0.7124  1.0
  H  H1  2  0.0034  0.3869  0.9835  1.0
  H  H2  2  0.4889  0.2416  0.5498  1.0
  H  H3  2  0.4988  0.0603  0.7901  1.0
  Se  Se4  2  0.0013  0.9462  0.2127  1.0
]