data_[Ti8Cr16Ge12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [8.9308]
_cell_length_b [5.1743]
_cell_length_c [12.3987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti2Cr4(GeN)3]
_chemical_formula_sum '[Ti8 Cr16 Ge12 N12]'
_cell_volume [556.2553]
_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
[
  Ti  Ti0  8  0.0543  0.4144  0.9028  1
  Cr  Cr1  8  0.1106  0.0755  0.0806  1
  Cr  Cr2  8  0.2196  0.0878  0.4198  1
  Ge  Ge3  8  0.1864  0.3960  0.2491  1
  Ge  Ge4  4  0.0000  0.0445  0.7500  1
  N  N5  8  0.0816  0.2539  0.5002  1
  N  N6  4  0.2500  0.2500  0.0000  1
]