data_[Nb16Cr8Ge12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [C2/c]
_cell_length_a [9.4886]
_cell_length_b [5.4794]
_cell_length_c [12.5828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb4Cr2(GeN)3]
_chemical_formula_sum '[Nb16 Cr8 Ge12 N12]'
_cell_volume [633.3547]
_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
[
  Nb  Nb0  8  0.1149  0.0867  0.0952  1
  Nb  Nb1  8  0.2200  0.0814  0.4047  1
  Cr  Cr2  8  0.0549  0.4186  0.9225  1
  Ge  Ge3  8  0.1465  0.4367  0.2498  1
  Ge  Ge4  4  0.0000  0.1236  0.7500  1
  N  N5  8  0.0806  0.2591  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]