data_[Si2P2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.2942]
_cell_length_b [4.7055]
_cell_length_c [5.2990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SiPN3]
_chemical_formula_sum '[Si2 P2 N6]'
_cell_volume [114.6410]
_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
[
  Si  Si0  2  0.3249  0.0032  0.3245  1.0
  P  P1  2  0.3361  0.4956  0.0087  1.0
  N  N2  2  0.0177  0.4366  0.7755  1.0
  N  N3  2  0.4323  0.3566  0.3338  1.0
  N  N4  2  0.4340  0.8411  0.0872  1.0
]