data_[Si4Ge4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8276]
_cell_length_b [2.9859]
_cell_length_c [8.2185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiGeN]
_chemical_formula_sum '[Si4 Ge4 N4]'
_cell_volume [195.8108]
_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  2  0.0230  0.0000  0.1985  1
  Si  Si1  2  0.1762  0.5000  0.5648  1
  Ge  Ge2  2  0.0288  0.5000  0.7570  1
  Ge  Ge3  2  0.2037  0.5000  0.0945  1
  N  N4  2  0.1178  0.0000  0.4371  1
  N  N5  2  0.3872  0.5000  0.6982  1
]