# generated using pymatgen
data_Nb12Al8C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.10374404
_cell_length_b   7.10374404
_cell_length_c   7.10374404
_cell_angle_alpha   89.91053870
_cell_angle_beta   89.91053870
_cell_angle_gamma   89.91053870
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb12Al8C3N
_chemical_formula_sum   'Nb12 Al8 C3 N1'
_cell_volume   358.47619992
_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  0.79495273  0.95504727  0.37500000  1.0
  Nb  Nb1  1  0.70484332  0.04515668  0.87500000  1.0
  Nb  Nb2  1  0.20589464  0.45454803  0.12639470  1.0
  Nb  Nb3  1  0.29545197  0.54410536  0.62360530  1.0
  Nb  Nb4  1  0.95504727  0.37500000  0.79495273  1.0
  Nb  Nb5  1  0.04515668  0.87500000  0.70484332  1.0
  Nb  Nb6  1  0.45454803  0.12639470  0.20589464  1.0
  Nb  Nb7  1  0.54410536  0.62360530  0.29545197  1.0
  Nb  Nb8  1  0.37500000  0.79495273  0.95504727  1.0
  Nb  Nb9  1  0.87500000  0.70484332  0.04515668  1.0
  Nb  Nb10  1  0.12639470  0.20589464  0.45454803  1.0
  Nb  Nb11  1  0.62360530  0.29545197  0.54410536  1.0
  Al  Al12  1  0.17881837  0.82129739  0.32058650  1.0
  Al  Al13  1  0.32058650  0.17881837  0.82129739  1.0
  Al  Al14  1  0.82129739  0.32058650  0.17881837  1.0
  Al  Al15  1  0.67933309  0.67933309  0.67933309  1.0
  Al  Al16  1  0.57118163  0.42941350  0.92870261  1.0
  Al  Al17  1  0.42941350  0.92870261  0.57118163  1.0
  Al  Al18  1  0.92870261  0.57118163  0.42941350  1.0
  Al  Al19  1  0.07066691  0.07066691  0.07066691  1.0
  C  C20  1  0.87500000  0.12615356  0.62384644  1.0
  C  C21  1  0.62384644  0.87500000  0.12615356  1.0
  C  C22  1  0.12615356  0.62384644  0.87500000  1.0
  N  N23  1  0.37500000  0.37500000  0.37500000  1.0