# generated using pymatgen
data_Nb12Al9Ru3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29415973
_cell_length_b   8.29415958
_cell_length_c   8.28429211
_cell_angle_alpha   59.96058921
_cell_angle_beta   59.96058686
_cell_angle_gamma   59.99999697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb12Al9Ru3N4
_chemical_formula_sum   'Nb12 Al9 Ru3 N4'
_cell_volume   402.74133622
_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
  Nb  Nb0  1  0.80845724  0.80845724  0.18782992  1.0
  Nb  Nb1  1  0.18583883  0.18583883  0.81524315  1.0
  Nb  Nb2  1  0.81308020  0.18583883  0.81524315  1.0
  Nb  Nb3  1  0.19525660  0.80845724  0.18782992  1.0
  Nb  Nb4  1  0.18583883  0.81308020  0.81524315  1.0
  Nb  Nb5  1  0.80845724  0.19525660  0.18782992  1.0
  Nb  Nb6  1  0.44154276  0.44154276  0.06217008  1.0
  Nb  Nb7  1  0.06416117  0.06416117  0.43475685  1.0
  Nb  Nb8  1  0.43691980  0.06416117  0.43475685  1.0
  Nb  Nb9  1  0.05474340  0.44154276  0.06217008  1.0
  Nb  Nb10  1  0.06416117  0.43691980  0.43475685  1.0
  Nb  Nb11  1  0.44154276  0.05474340  0.06217008  1.0
  Al  Al12  1  0.62500000  0.62500000  0.12500000  1.0
  Al  Al13  1  0.75014667  0.41160585  0.42664462  1.0
  Al  Al14  1  0.41160585  0.75014667  0.42664462  1.0
  Al  Al15  1  0.41573363  0.41573363  0.75280010  1.0
  Al  Al16  1  0.41160585  0.41160585  0.42664462  1.0
  Al  Al17  1  0.49985333  0.83839415  0.82335538  1.0
  Al  Al18  1  0.83839415  0.49985333  0.82335538  1.0
  Al  Al19  1  0.83426637  0.83426637  0.49719990  1.0
  Al  Al20  1  0.83839415  0.83839415  0.82335538  1.0
  Ru  Ru21  1  0.12500000  0.62500000  0.62500000  1.0
  Ru  Ru22  1  0.62500000  0.12500000  0.62500000  1.0
  Ru  Ru23  1  0.62500000  0.62500000  0.62500000  1.0
  N  N24  1  0.62500000  0.12500000  0.12500000  1.0
  N  N25  1  0.12500000  0.62500000  0.12500000  1.0
  N  N26  1  0.12500000  0.12500000  0.62500000  1.0
  N  N27  1  0.12500000  0.12500000  0.12500000  1.0