data_[Sn9Ge9N9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5445]
_cell_length_b [5.5445]
_cell_length_c [22.4139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SnGeN]
_chemical_formula_sum '[Sn9 Ge9 N9]'
_cell_volume [596.7286]
_cell_formula_units_Z [9]
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  9  0.0052  0.3363  0.9103  1
  Ge  Ge1  3  0.0000  0.0000  0.4072  1
  Ge  Ge2  3  0.0000  0.0000  0.6873  1
  Ge  Ge3  3  0.0000  0.0000  0.7982  1
  N  N4  9  0.0860  0.7222  0.4092  1
]