# generated using pymatgen
data_ThMoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57120873
_cell_length_b   5.62653083
_cell_length_c   7.96073856
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMoN3
_chemical_formula_sum   'Th4 Mo4 N12'
_cell_volume   249.54190969
_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  0.50150761  0.54277295  0.25000000  1.0
  Th  Th1  1  0.99849239  0.04277295  0.25000000  1.0
  Th  Th2  1  0.49849239  0.45722705  0.75000000  1.0
  Th  Th3  1  0.00150761  0.95722705  0.75000000  1.0
  Mo  Mo4  1  0.00000000  0.50000000  0.00000000  1.0
  Mo  Mo5  1  0.50000000  0.00000000  0.50000000  1.0
  Mo  Mo6  1  0.00000000  0.50000000  0.50000000  1.0
  Mo  Mo7  1  0.50000000  0.00000000  0.00000000  1.0
  N  N8  1  0.42902989  0.98387261  0.25000000  1.0
  N  N9  1  0.07097011  0.48387261  0.25000000  1.0
  N  N10  1  0.57097011  0.01612739  0.75000000  1.0
  N  N11  1  0.92902989  0.51612739  0.75000000  1.0
  N  N12  1  0.79973248  0.79927761  0.03587198  1.0
  N  N13  1  0.70026752  0.29927761  0.46412802  1.0
  N  N14  1  0.20026752  0.20072239  0.53587198  1.0
  N  N15  1  0.29973248  0.70072239  0.96412802  1.0
  N  N16  1  0.20026752  0.20072239  0.96412802  1.0
  N  N17  1  0.29973248  0.70072239  0.53587198  1.0
  N  N18  1  0.79973248  0.79927761  0.46412802  1.0
  N  N19  1  0.70026752  0.29927761  0.03587198  1.0