data_Sn2SeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2SeN2
_chemical_formula_sum   'Sn2 Se1 N2'
_cell_volume   82.09
_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
  Sn  Sn0  1  0.82  0.05  0.99  1.0
  Sn  Sn1  1  0.0  0.11  0.13  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  N  N3  1  0.82  0.05  0.66  1.0
  N  N4  1  0.0  0.11  0.46  1.0

data_Sn2SeN2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2SeN2
_chemical_formula_sum   'Sn2 Se1 N2'
_cell_volume   82.09
_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
  Sn  Sn0  1  0.0  0.11  0.13  1.0
  Sn  Sn1  1  0.82  0.05  0.99  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  N  N3  1  0.0  0.11  0.46  1.0
  N  N4  1  0.82  0.05  0.66  1.0

Sn Sn Se N N