# generated using pymatgen
data_Nb12Ga9Cu3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23866447
_cell_length_b   8.22922752
_cell_length_c   8.22922684
_cell_angle_alpha   59.99999479
_cell_angle_beta   60.03787862
_cell_angle_gamma   60.03787633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb12Ga9Cu3N4
_chemical_formula_sum   'Nb12 Ga9 Cu3 N4'
_cell_volume   394.73743009
_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  0.81544182  0.81149511  0.18653204  1.0
  Nb  Nb1  1  0.18743940  0.19503015  0.80876523  1.0
  Nb  Nb2  1  0.81544182  0.18653204  0.81149511  1.0
  Nb  Nb3  1  0.18743940  0.80876523  0.19503015  1.0
  Nb  Nb4  1  0.18743940  0.80876523  0.80876523  1.0
  Nb  Nb5  1  0.81544182  0.18653204  0.18653204  1.0
  Nb  Nb6  1  0.43455818  0.43850489  0.06346796  1.0
  Nb  Nb7  1  0.06256060  0.05496985  0.44123477  1.0
  Nb  Nb8  1  0.43455818  0.06346796  0.43850489  1.0
  Nb  Nb9  1  0.06256060  0.44123477  0.05496985  1.0
  Nb  Nb10  1  0.06256060  0.44123477  0.44123477  1.0
  Nb  Nb11  1  0.43455818  0.06346796  0.06346796  1.0
  Ga  Ga12  1  0.12500000  0.62500000  0.62500000  1.0
  Ga  Ga13  1  0.76219528  0.41260191  0.41260191  1.0
  Ga  Ga14  1  0.42762476  0.75539940  0.40848842  1.0
  Ga  Ga15  1  0.42762476  0.40848842  0.75539940  1.0
  Ga  Ga16  1  0.42762476  0.40848842  0.40848842  1.0
  Ga  Ga17  1  0.48780472  0.83739809  0.83739809  1.0
  Ga  Ga18  1  0.82237524  0.49460060  0.84151158  1.0
  Ga  Ga19  1  0.82237524  0.84151158  0.49460060  1.0
  Ga  Ga20  1  0.82237524  0.84151158  0.84151158  1.0
  Cu  Cu21  1  0.62500000  0.12500000  0.62500000  1.0
  Cu  Cu22  1  0.62500000  0.62500000  0.12500000  1.0
  Cu  Cu23  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