data_[Cr4Ge4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  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 [5.3989]
_cell_length_b [6.5963]
_cell_length_c [5.3186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [CrGeN2]
_chemical_formula_sum '[Cr4 Ge4 N8]'
_cell_volume [189.4083]
_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
[
  Cr  Cr0  4  0.0819  0.6307  0.0122  1
  Ge  Ge1  4  0.0773  0.1249  0.0060  1
  N  N2  4  0.0676  0.1048  0.3592  1
  N  N3  4  0.0888  0.6369  0.4026  1
]