data_[Cr6Ge2N2]
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 [P-42_1m]
_cell_length_a [5.3310]
_cell_length_b [5.3310]
_cell_length_c [4.0102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [113]
_chemical_formula_structural [Cr3GeN]
_chemical_formula_sum '[Cr6 Ge2 N2]'
_cell_volume [113.9689]
_cell_formula_units_Z [2]
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  0.2084  0.2916  0.9223  1.0
  Cr  Cr1  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.0000  0.5000  0.4455  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
]