# generated using pymatgen
data_ThNbN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40976613
_cell_length_b   5.92472413
_cell_length_c   11.11559300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThNbN2
_chemical_formula_sum   'Th4 Nb4 N8'
_cell_volume   224.55636141
_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
  Th  Th0  1  0.25000000  0.57811892  0.85542482  1.0
  Th  Th1  1  0.75000000  0.42188108  0.14457518  1.0
  Th  Th2  1  0.75000000  0.92188108  0.35542482  1.0
  Th  Th3  1  0.25000000  0.07811892  0.64457518  1.0
  Nb  Nb4  1  0.25000000  0.93032896  0.09224610  1.0
  Nb  Nb5  1  0.75000000  0.06967104  0.90775390  1.0
  Nb  Nb6  1  0.75000000  0.56967104  0.59224610  1.0
  Nb  Nb7  1  0.25000000  0.43032896  0.40775390  1.0
  N  N8  1  0.25000000  0.66195186  0.24825861  1.0
  N  N9  1  0.75000000  0.33804814  0.75174139  1.0
  N  N10  1  0.75000000  0.83804814  0.74825861  1.0
  N  N11  1  0.25000000  0.16195186  0.25174139  1.0
  N  N12  1  0.25000000  0.76182319  0.50603475  1.0
  N  N13  1  0.75000000  0.23817681  0.49396525  1.0
  N  N14  1  0.75000000  0.73817681  0.00603475  1.0
  N  N15  1  0.25000000  0.26182319  0.99396525  1.0