data_[Si1B1N5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5555]
_cell_length_b [2.7699]
_cell_length_c [7.9882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SiBN5]
_chemical_formula_sum '[Si1 B1 N5]'
_cell_volume [100.7097]
_cell_formula_units_Z [1]
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
[
  Si  Si0  1  0.9716  0.5000  0.5620  1
  B  B1  1  0.4419  0.0000  0.5595  1
  N  N2  1  0.1347  0.0000  0.4532  1
  N  N3  1  0.1500  0.0000  0.6698  1
  N  N4  1  0.4905  0.5000  0.0893  1
  N  N5  1  0.5998  0.5000  0.5599  1
  N  N6  1  0.6937  0.5000  0.0167  1
]