# generated using pymatgen
data_Th2RuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57186053
_cell_length_b   3.85276112
_cell_length_c   6.97085187
_cell_angle_alpha   106.04235409
_cell_angle_beta   104.84468710
_cell_angle_gamma   90.00000105
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2RuN3
_chemical_formula_sum   'Th2 Ru1 N3'
_cell_volume   88.85757151
_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
  Th  Th0  1  0.64502954  0.64502954  0.29005807  1.0
  Th  Th1  1  0.35497146  0.35497146  0.70994193  1.0
  Ru  Ru2  1  0.00000000  0.00000000  0.00000000  1.0
  N  N3  1  0.00000000  0.50000100  0.00000000  1.0
  N  N4  1  0.17050159  0.17050159  0.34100319  1.0
  N  N5  1  0.82949941  0.82949941  0.65899681  1.0