data_[Zn4Ge4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pna2_1]
_cell_length_a [5.5105]
_cell_length_b [6.4969]
_cell_length_c [5.2496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [ZnGeN2]
_chemical_formula_sum '[Zn4 Ge4 N8]'
_cell_volume [187.9439]
_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
[
  Zn  Zn0  4  0.0843  0.6247  0.9996  1.0
  Ge  Ge1  4  0.0764  0.1255  0.0002  1.0
  N  N2  4  0.0658  0.1099  0.3587  1.0
  N  N3  4  0.0983  0.6404  0.3926  1.0
]