# generated using pymatgen
data_Ti12Ge4C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48198522
_cell_length_b   5.48198566
_cell_length_c   16.44364266
_cell_angle_alpha   89.80685617
_cell_angle_beta   89.80685667
_cell_angle_gamma   33.78720080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12Ge4C3N
_chemical_formula_sum   'Ti12 Ge4 C3 N1'
_cell_volume   274.80951902
_cell_formula_units_Z   1
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  1  0.87014458  0.87014458  0.22790015  1.0
  Ti  Ti1  1  0.87247709  0.87247709  0.72468011  1.0
  Ti  Ti2  1  0.12752291  0.12752291  0.27531989  1.0
  Ti  Ti3  1  0.12985542  0.12985542  0.77209985  1.0
  Ti  Ti4  1  0.87118023  0.87118023  0.02348797  1.0
  Ti  Ti5  1  0.87244036  0.87244036  0.52218859  1.0
  Ti  Ti6  1  0.12755964  0.12755964  0.47781141  1.0
  Ti  Ti7  1  0.12881977  0.12881977  0.97651203  1.0
  Ti  Ti8  1  0.54586855  0.54586855  0.12580498  1.0
  Ti  Ti9  1  0.54825254  0.54825254  0.62321194  1.0
  Ti  Ti10  1  0.45174746  0.45174746  0.37678806  1.0
  Ti  Ti11  1  0.45413145  0.45413145  0.87419502  1.0
  Ge  Ge12  1  0.24725914  0.24725914  0.12574952  1.0
  Ge  Ge13  1  0.24812802  0.24812802  0.62373260  1.0
  Ge  Ge14  1  0.75187198  0.75187198  0.37626740  1.0
  Ge  Ge15  1  0.75274086  0.75274086  0.87425048  1.0
  C  C16  1  0.49903911  0.49903911  0.25132183  1.0
  C  C17  1  0.50096089  0.50096089  0.74867817  1.0
  C  C18  1  0.50000000  0.50000000  0.00000000  1.0
  N  N19  1  0.50000000  0.50000000  0.50000000  1.0