data_[Si2S2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.0379]
_cell_length_b [2.9070]
_cell_length_c [7.3754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiSN2]
_chemical_formula_sum '[Si2 S2 N4]'
_cell_volume [106.2679]
_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  0.2778  0.5000  0.8067  1
  S  S1  2  0.3940  0.5000  0.2505  1
  N  N2  2  0.3395  0.5000  0.0427  1
  N  N3  2  0.4250  0.0000  0.7323  1
]