# generated using pymatgen
data_Nb3Al2NiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25008052
_cell_length_b   8.25008087
_cell_length_c   8.25008114
_cell_angle_alpha   60.00000686
_cell_angle_beta   60.00000545
_cell_angle_gamma   60.00000734
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Al2NiC
_chemical_formula_sum   'Nb12 Al8 Ni4 C4'
_cell_volume   397.06323718
_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
  Nb  Nb0  1  0.81409615  0.81409615  0.18590385  1.0
  Nb  Nb1  1  0.18590385  0.18590385  0.81409615  1.0
  Nb  Nb2  1  0.81409615  0.18590385  0.81409615  1.0
  Nb  Nb3  1  0.18590385  0.81409615  0.18590385  1.0
  Nb  Nb4  1  0.18590385  0.81409615  0.81409615  1.0
  Nb  Nb5  1  0.81409615  0.18590385  0.18590385  1.0
  Nb  Nb6  1  0.43590385  0.43590385  0.06409615  1.0
  Nb  Nb7  1  0.06409615  0.06409615  0.43590385  1.0
  Nb  Nb8  1  0.43590385  0.06409615  0.43590385  1.0
  Nb  Nb9  1  0.06409615  0.43590385  0.06409615  1.0
  Nb  Nb10  1  0.06409615  0.43590385  0.43590385  1.0
  Nb  Nb11  1  0.43590385  0.06409615  0.06409615  1.0
  Al  Al12  1  0.74565340  0.41811553  0.41811553  1.0
  Al  Al13  1  0.41811553  0.74565340  0.41811553  1.0
  Al  Al14  1  0.41811553  0.41811553  0.74565340  1.0
  Al  Al15  1  0.41811553  0.41811553  0.41811553  1.0
  Al  Al16  1  0.50434660  0.83188447  0.83188447  1.0
  Al  Al17  1  0.83188447  0.50434660  0.83188447  1.0
  Al  Al18  1  0.83188447  0.83188447  0.50434660  1.0
  Al  Al19  1  0.83188447  0.83188447  0.83188447  1.0
  Ni  Ni20  1  0.12500000  0.62500000  0.62500000  1.0
  Ni  Ni21  1  0.62500000  0.12500000  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