# generated using pymatgen
data_Nb12Al9Ni3C4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27883262
_cell_length_b   8.29196454
_cell_length_c   8.27883247
_cell_angle_alpha   60.05237493
_cell_angle_beta   60.00000063
_cell_angle_gamma   60.05237927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb12Al9Ni3C4
_chemical_formula_sum   'Nb12 Al9 Ni3 C4'
_cell_volume   402.18327465
_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  0.81505552  0.81628263  0.18433093  1.0
  Nb  Nb1  1  0.19269344  0.18275574  0.81227541  1.0
  Nb  Nb2  1  0.81227541  0.18275574  0.81227541  1.0
  Nb  Nb3  1  0.18433093  0.81628263  0.18433093  1.0
  Nb  Nb4  1  0.18433093  0.81628263  0.81505552  1.0
  Nb  Nb5  1  0.81227541  0.18275574  0.19269344  1.0
  Nb  Nb6  1  0.43494448  0.43371737  0.06566907  1.0
  Nb  Nb7  1  0.05730656  0.06724426  0.43772459  1.0
  Nb  Nb8  1  0.43772459  0.06724426  0.43772459  1.0
  Nb  Nb9  1  0.06566907  0.43371737  0.06566907  1.0
  Nb  Nb10  1  0.06566907  0.43371737  0.43494448  1.0
  Nb  Nb11  1  0.43772459  0.06724426  0.05730656  1.0
  Al  Al12  1  0.62500000  0.12500000  0.62500000  1.0
  Al  Al13  1  0.74753011  0.43284826  0.40981132  1.0
  Al  Al14  1  0.41569972  0.75290283  0.41569972  1.0
  Al  Al15  1  0.40981132  0.43284826  0.74753011  1.0
  Al  Al16  1  0.40981132  0.43284826  0.40981132  1.0
  Al  Al17  1  0.50246989  0.81715174  0.84018868  1.0
  Al  Al18  1  0.83430028  0.49709717  0.83430028  1.0
  Al  Al19  1  0.84018868  0.81715174  0.50246989  1.0
  Al  Al20  1  0.84018868  0.81715174  0.84018868  1.0
  Ni  Ni21  1  0.12500000  0.62500000  0.62500000  1.0
  Ni  Ni22  1  0.62500000  0.62500000  0.12500000  1.0
  Ni  Ni23  1  0.62500000  0.62500000  0.62500000  1.0
  C  C24  1  0.62500000  0.12500000  0.12500000  1.0
  C  C25  1  0.12500000  0.62500000  0.12500000  1.0
  C  C26  1  0.12500000  0.12500000  0.62500000  1.0
  C  C27  1  0.12500000  0.12500000  0.12500000  1.0