data_Si3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3N4
_chemical_formula_sum   'Si12 N16'
_cell_volume   297.32
_cell_formula_units_Z   4
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  Si16  1  0.41  0.52  0.2  1.0
  Si  Si17  1  0.18  0.01  0.2  1.0
  Si  Si18  1  0.41  0.3  0.2  1.0
  Si  Si19  1  0.12  0.11  0.32  1.0
  Si  Si20  1  0.89  0.41  0.32  1.0
  Si  Si21  1  0.11  0.9  0.32  1.0
  Si  Si22  1  0.21  0.71  0.57  1.0
  Si  Si23  1  0.19  0.43  0.57  1.0
  Si  Si24  1  0.71  0.28  0.57  1.0
  Si  Si25  1  0.01  0.14  0.7  1.0
  Si  Si26  1  0.49  0.99  0.7  1.0
  Si  Si27  1  0.51  0.71  0.7  1.0
  N  N0  1  0.0  0.0  0.53  1.0
  N  N1  1  0.0  0.0  0.4  1.0
  N  N2  1  0.0  0.0  0.26  1.0
  N  N3  1  0.0  0.0  0.14  1.0
  N  N4  1  0.96  0.17  0.13  1.0
  N  N5  1  0.89  0.43  0.13  1.0
  N  N6  1  0.16  0.24  0.13  1.0
  N  N7  1  0.86  0.18  0.25  1.0
  N  N8  1  0.59  0.99  0.25  1.0
  N  N9  1  0.66  0.25  0.25  1.0
  N  N10  1  0.51  0.95  0.61  1.0
  N  N11  1  0.96  0.33  0.61  1.0
  N  N12  1  0.64  0.13  0.61  1.0
  N  N13  1  0.94  0.28  0.74  1.0
  N  N14  1  0.26  0.09  0.74  1.0
  N  N15  1  0.8  0.46  0.74  1.0

data_Si3N4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.25
_cell_length_b   7.41
_cell_length_c   7.41
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si3N4
_chemical_formula_sum   'Si12 N16'
_cell_volume   297.32
_cell_formula_units_Z   4
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  0.2  0.18  0.01  1.0
  Si  Si1  1  0.2  0.41  0.52  1.0
  Si  Si2  1  0.2  0.41  0.3  1.0
  Si  Si3  1  0.32  0.11  0.9  1.0
  Si  Si4  1  0.32  0.12  0.11  1.0
  Si  Si5  1  0.32  0.89  0.41  1.0
  Si  Si6  1  0.57  0.19  0.43  1.0
  Si  Si7  1  0.57  0.21  0.71  1.0
  Si  Si8  1  0.57  0.71  0.28  1.0
  Si  Si9  1  0.7  0.01  0.14  1.0
  Si  Si10  1  0.7  0.49  0.99  1.0
  Si  Si11  1  0.7  0.51  0.71  1.0
  N  N12  1  0.13  0.16  0.24  1.0
  N  N13  1  0.13  0.89  0.43  1.0
  N  N14  1  0.13  0.96  0.17  1.0
  N  N15  1  0.14  0.0  0.0  1.0
  N  N16  1  0.25  0.59  0.99  1.0
  N  N17  1  0.25  0.66  0.25  1.0
  N  N18  1  0.25  0.86  0.18  1.0
  N  N19  1  0.26  0.0  0.0  1.0
  N  N20  1  0.4  0.0  0.0  1.0
  N  N21  1  0.53  0.0  0.0  1.0
  N  N22  1  0.61  0.51  0.95  1.0
  N  N23  1  0.61  0.64  0.13  1.0
  N  N24  1  0.61  0.96  0.33  1.0
  N  N25  1  0.74  0.26  0.09  1.0
  N  N26  1  0.74  0.8  0.46  1.0
  N  N27  1  0.74  0.94  0.28  1.0

Si Si Si Si Si Si Si Si Si Si Si Si N N N N N N N N N N N N N N N N
Si Si Si Si Si Si Si Si Si Si Si Si N N N N N N N N N N N N N N N N 0 2 o o o 1 5 o - o 1 2 o o o 2 18 o o o 3 14 o o o 3 13 o o o 3 18 o o o 4 17 o o o 4 21 o o o 5 6 o o o 6 23 - o o 6 7 o o o 6 22 o o o 6 11 o o o 6 10 o o o 7 23 - o o 7 11 o o o 8 24 o o o 8 27 o o o 9 23 - o o 9 25 - o o 9 12 o o o 9 26 o o o 10 22 o o o 10 11 o o o 10 26 o + o 11 22 o o o 12 13 o o o 12 26 o o o 13 14 o o o 14 15 o o o 15 18 o o o 16 19 o o o 16 18 + o o 17 21 o o o 19 20 o - o 19 21 o o o 20 21 o + o 22 24 o + o 23 25 o o o 