data_[Be4Ge4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  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 [5.1805]
_cell_length_b [5.9514]
_cell_length_c [4.8716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [BeGeN2]
_chemical_formula_sum '[Be4 Ge4 N8]'
_cell_volume [150.1997]
_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
[
  Be  Be0  4  0.0811  0.6252  0.9908  1.0
  Ge  Ge1  4  0.0904  0.1246  0.9904  1.0
  N  N2  4  0.0729  0.6160  0.3556  1.0
  N  N3  4  0.0893  0.1336  0.3773  1.0
]