data_[Ge9N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.3677]
_cell_length_b [9.3677]
_cell_length_c [17.9016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ge3N4]
_chemical_formula_sum '[Ge9 N12]'
_cell_volume [1360.4618]
_cell_formula_units_Z [3]
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
[
  Ge  Ge0  6  0.1704  0.8250  0.5560  1
  Ge  Ge1  2  0.3333  0.6667  0.3940  1
  Ge  Ge2  1  0.0000  0.0000  0.4079  1
  N  N3  6  0.2419  0.7344  0.4828  1
  N  N4  3  0.0000  0.8574  0.4964  1
  N  N5  2  0.3333  0.6667  0.5231  1
  N  N6  1  0.0000  0.0000  0.5354  1
]