data_[Mg4Ge4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6533]
_cell_length_b [3.1817]
_cell_length_c [5.7947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgGeN2]
_chemical_formula_sum '[Mg4 Ge4 N8]'
_cell_volume [194.2443]
_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
[
  Mg  Mg0  2  0.0892  0.0000  0.0123  1
  Mg  Mg1  2  0.3401  0.5000  0.2582  1
  Ge  Ge2  2  0.0864  0.5000  0.5250  1
  Ge  Ge3  2  0.3357  0.0000  0.7735  1
  N  N4  2  0.0131  0.5000  0.7999  1
  N  N5  2  0.0404  0.0000  0.3524  1
  N  N6  2  0.2698  0.5000  0.5900  1
  N  N7  2  0.2829  0.0000  0.0541  1
]