data_[B4H2Se8]
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 [P1]
_cell_length_a [5.8136]
_cell_length_b [5.9117]
_cell_length_c [12.7940]
_cell_angle_alpha [91.0888]
_cell_angle_beta [97.9307]
_cell_angle_gamma [103.9243]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [B2HSe4]
_chemical_formula_sum '[B4 H2 Se8]'
_cell_volume [422.0806]
_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  1  0.0767  0.3165  0.7730  1.0
  B  B1  1  0.4387  0.2106  0.2536  1.0
  B  B2  1  0.5817  0.4602  0.6720  1.0
  B  B3  1  0.6895  0.7784  0.2498  1.0
  H  H4  1  0.1837  0.2069  0.9599  1.0
  H  H5  1  0.2612  0.6771  0.6077  1.0
  Se  Se6  1  0.2059  0.1371  0.3515  1.0
  Se  Se7  1  0.4004  0.2614  0.7679  1.0
  Se  Se8  1  0.4042  0.5277  0.2068  1.0
  Se  Se9  1  0.5132  0.7082  0.5861  1.0
  Se  Se10  1  0.6665  0.0866  0.1896  1.0
  Se  Se11  1  0.8984  0.4079  0.6467  1.0
  Se  Se12  1  0.9514  0.2382  0.9044  1.0
  Se  Se13  1  0.9786  0.7332  0.3310  1.0
]