# generated using pymatgen
data_Nb3Al2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13020500
_cell_length_b   7.13020500
_cell_length_c   7.13020500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Al2C
_chemical_formula_sum   'Nb12 Al8 C4'
_cell_volume   362.49836259
_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  0.79535900  0.95464100  0.37500000  1.0
  Nb  Nb1  1  0.70464100  0.04535900  0.87500000  1.0
  Nb  Nb2  1  0.20464100  0.45464100  0.12500000  1.0
  Nb  Nb3  1  0.29535900  0.54535900  0.62500000  1.0
  Nb  Nb4  1  0.95464100  0.37500000  0.79535900  1.0
  Nb  Nb5  1  0.04535900  0.87500000  0.70464100  1.0
  Nb  Nb6  1  0.45464100  0.12500000  0.20464100  1.0
  Nb  Nb7  1  0.54535900  0.62500000  0.29535900  1.0
  Nb  Nb8  1  0.37500000  0.79535900  0.95464100  1.0
  Nb  Nb9  1  0.87500000  0.70464100  0.04535900  1.0
  Nb  Nb10  1  0.12500000  0.20464100  0.45464100  1.0
  Nb  Nb11  1  0.62500000  0.29535900  0.54535900  1.0
  Al  Al12  1  0.18069100  0.81930900  0.31930900  1.0
  Al  Al13  1  0.31930900  0.18069100  0.81930900  1.0
  Al  Al14  1  0.81930900  0.31930900  0.18069100  1.0
  Al  Al15  1  0.68069100  0.68069100  0.68069100  1.0
  Al  Al16  1  0.56930900  0.43069100  0.93069100  1.0
  Al  Al17  1  0.43069100  0.93069100  0.56930900  1.0
  Al  Al18  1  0.93069100  0.56930900  0.43069100  1.0
  Al  Al19  1  0.06930900  0.06930900  0.06930900  1.0
  C  C20  1  0.87500000  0.12500000  0.62500000  1.0
  C  C21  1  0.62500000  0.87500000  0.12500000  1.0
  C  C22  1  0.12500000  0.62500000  0.87500000  1.0
  C  C23  1  0.37500000  0.37500000  0.37500000  1.0